 Entering Gaussian System, Link 0=g16
 Input=10_L-serine_conformer08_STD_B3LYPDBJ_augccpVDZ.in
 Output=10_L-serine_conformer08_STD_B3LYPDBJ_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  6.554800D-02          -9.011202D-03
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            P    16   1.00
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            ****
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                  1.934190D+01          -1.082310D-01
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            ****
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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            P    16   1.00
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            P    16   1.00
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                  6.995600D-01           2.716570D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
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                  6.995600D-01          -5.388760D-01
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            F    1   1.00
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            ****
            -Ga     0
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                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  1.750446D+00           2.713900D-03
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
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                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
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                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
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                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
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                 29.2935000              0.0066660
                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
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                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
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                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
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                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
                  0.0777920              0.0203880
            S    7   1.00
                 53.4460000             -0.0003080
                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
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                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
                  0.0847070              0.6181780
            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
                  0.3272000              1.0000000
            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
                  0.4690000              1.0000000
            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
                  0.0131000              1.0000000
            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
                  0.0367360              1.0000000
            S    1   1.00
                  0.0137000              1.0000000
            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
                  0.0381770              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  5.7601300             -0.0164110
                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
                  0.0392180              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
                  0.0391720              1.0000000
            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
                  0.0431300              1.0000000
            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
                  0.3661640              0.3299670
            D    1   1.00
                  0.1239770              1.0000000
            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
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            -I     0
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            -Xe     0
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                 11.7533000             -0.1437480
                  4.5708900              0.2705360
                  0.9478400             -0.4015970
                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/B3LYPDBJ_augccpVDZ/Gau-29246.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/B3LYPDBJ_augccpVDZ/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     29248.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                12-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=10_L-serine_conformer08_STD_B3LYPDBJ_augccpVDZ
 ----------------------------------------------------------------------
 #P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoS
 ymm,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-5,75=-5,116=-2,124=41/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Aug 12 19:37:28 2021, MaxMem=  5368709120 cpu:               1.1 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "10_L-serine_conformer08_STD_B3LYPDBJ_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 1.250904000000     -0.690050000000      0.276818000000
  C                                                 0.189479000000      0.206848000000     -0.338320000000
  C                                                -1.218867000000     -0.343463000000     -0.063422000000
  O                                                -2.139786000000      0.610664000000      0.106878000000
  O                                                 2.516052000000     -0.170687000000     -0.121294000000
  N                                                 0.262737000000      1.614990000000      0.062074000000
  O                                                -1.475252000000     -1.516387000000     -0.031909000000
  H                                                 0.312462000000      0.172012000000     -1.425027000000
  H                                                 1.148785000000     -0.681214000000      1.370514000000
  H                                                 1.101193000000     -1.714061000000     -0.069890000000
  H                                                -1.645638000000      1.460867000000      0.062581000000
  H                                                 0.529234000000      1.694360000000      1.038405000000
  H                                                 0.970182000000      2.101499000000     -0.472846000000
  H                                                 3.207414000000     -0.767126000000      0.181892000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     14 NQM=       14 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          16          16          14          16           1           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  15.9949146  15.9949146  14.0030740  15.9949146   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           2           0           1           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   5.6000000   5.6000000   4.5500000   5.6000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.0440000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.4037610   0.0000000   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   8.0000000   8.0000000   7.0000000   8.0000000   1.0000000   1.0000000   1.0000000

  Atom        11          12          13          14
 IAtWgt=           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Thu Aug 12 19:37:28 2021, MaxMem=  5368709120 cpu:               1.7 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.250904   -0.690050    0.276818
      2          6           0        0.189479    0.206848   -0.338320
      3          6           0       -1.218867   -0.343463   -0.063422
      4          8           0       -2.139786    0.610664    0.106878
      5          8           0        2.516052   -0.170687   -0.121294
      6          7           0        0.262737    1.614990    0.062074
      7          8           0       -1.475252   -1.516387   -0.031909
      8          1           0        0.312462    0.172012   -1.425027
      9          1           0        1.148785   -0.681214    1.370514
     10          1           0        1.101193   -1.714061   -0.069890
     11          1           0       -1.645638    1.460867    0.062581
     12          1           0        0.529234    1.694360    1.038405
     13          1           0        0.970182    2.101499   -0.472846
     14          1           0        3.207414   -0.767126    0.181892
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.519685   0.000000
     3  C    2.517073   1.536831   0.000000
     4  O    3.635590   2.405565   1.336956   0.000000
     5  O    1.424370   2.366976   3.739361   4.726457   0.000000
     6  N    2.517101   1.465792   2.458951   2.604380   2.880919
     7  O    2.865322   2.415524   1.201032   2.232759   4.213004
     8  H    2.126053   1.094199   2.112972   2.924495   2.583209
     9  H    1.098489   2.151519   2.788552   3.752389   2.086995
    10  H    1.091429   2.143168   2.694672   3.992435   2.094391
    11  H    3.614180   2.258526   1.858391   0.984373   4.473862
    12  H    2.605040   2.055115   2.902172   3.027508   2.961545
    13  H    2.904057   2.053606   3.307174   3.497223   2.770583
    14  H    1.960327   3.213593   4.453272   5.522362   0.962103
                    6          7          8          9         10
     6  N    0.000000
     7  O    3.582591   0.000000
     8  H    2.072710   2.826197   0.000000
     9  H    2.787409   3.090287   3.040145   0.000000
    10  H    3.435550   2.584296   2.452705   1.773077   0.000000
    11  H    1.914589   2.983622   2.776379   3.756062   4.200333
    12  H    1.015156   3.933501   2.903968   2.477396   3.629434
    13  H    1.011587   4.389040   2.249925   3.342659   3.839015
    14  H    3.789453   4.747048   3.441644   2.378688   2.322982
                   11         12         13         14
    11  H    0.000000
    12  H    2.395166   0.000000
    13  H    2.745834   1.626062   0.000000
    14  H    5.341376   3.737001   3.696336   0.000000
 Stoichiometry    C3H7NO3
 Framework group  C1[X(C3H7NO3)]
 Deg. of freedom    36
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 2.81D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.250904   -0.690050    0.276818
      2          6           0        0.189479    0.206848   -0.338320
      3          6           0       -1.218867   -0.343463   -0.063422
      4          8           0       -2.139786    0.610664    0.106878
      5          8           0        2.516052   -0.170687   -0.121294
      6          7           0        0.262737    1.614990    0.062074
      7          8           0       -1.475252   -1.516387   -0.031909
      8          1           0        0.312462    0.172012   -1.425027
      9          1           0        1.148785   -0.681214    1.370514
     10          1           0        1.101193   -1.714061   -0.069890
     11          1           0       -1.645638    1.460867    0.062581
     12          1           0        0.529234    1.694360    1.038405
     13          1           0        0.970182    2.101499   -0.472846
     14          1           0        3.207414   -0.767126    0.181892
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           4.6422497           1.8564853           1.3850769
 Leave Link  202 at Thu Aug 12 19:37:29 2021, MaxMem=  5368709120 cpu:               0.7 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       8      9     10     11     12     13     14
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       6
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients=  7.0000000000D-04
     Exponent=  1.3570000000D+03 Coefficients=  5.3890000000D-03
     Exponent=  3.0930000000D+02 Coefficients=  2.7406000000D-02
     Exponent=  8.7730000000D+01 Coefficients=  1.0320700000D-01
     Exponent=  2.8560000000D+01 Coefficients=  2.7872300000D-01
     Exponent=  1.0210000000D+01 Coefficients=  4.4854000000D-01
     Exponent=  3.8380000000D+00 Coefficients=  2.7823800000D-01
     Exponent=  7.4660000000D-01 Coefficients=  1.5440000000D-02
     Exponent=  2.2480000000D-01 Coefficients= -2.8640000000D-03
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients= -1.5300000000D-04
     Exponent=  1.3570000000D+03 Coefficients= -1.2080000000D-03
     Exponent=  3.0930000000D+02 Coefficients= -5.9920000000D-03
     Exponent=  8.7730000000D+01 Coefficients= -2.4544000000D-02
     Exponent=  2.8560000000D+01 Coefficients= -6.7459000000D-02
     Exponent=  1.0210000000D+01 Coefficients= -1.5807800000D-01
     Exponent=  3.8380000000D+00 Coefficients= -1.2183100000D-01
     Exponent=  7.4660000000D-01 Coefficients=  5.4900300000D-01
     Exponent=  2.2480000000D-01 Coefficients=  5.7881500000D-01
 S 1 1.00
     Exponent=  2.2480000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.1240000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.3550000000D+01 Coefficients=  3.9919000000D-02
     Exponent=  2.9170000000D+00 Coefficients=  2.1716900000D-01
     Exponent=  7.9730000000D-01 Coefficients=  5.1031900000D-01
     Exponent=  2.1850000000D-01 Coefficients=  4.6221400000D-01
 P 1 1.00
     Exponent=  2.1850000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  5.6110000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.1700000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  2.3000000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       4      5      7
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  21 primitive shells out of 252 were deleted.
 There are   238 symmetry adapted cartesian basis functions of A   symmetry.
 There are   224 symmetry adapted basis functions of A   symmetry.
   224 basis functions,   413 primitive gaussians,   238 cartesian basis functions
    28 alpha electrons       28 beta electrons
       nuclear repulsion energy       322.5377908605 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=141
 NAtoms=   14 NActive=   14 NUniq=   14 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D3(BJ) Dispersion energy=       -0.0184538236 Hartrees.
 Nuclear repulsion after empirical dispersion term =      322.5193370369 Hartrees.
 Leave Link  301 at Thu Aug 12 19:37:31 2021, MaxMem=  5368709120 cpu:              18.0 elap:               2.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   224 RedAO= T EigKep=  2.16D-05  NBF=   224
 NBsUse=   224 1.00D-06 EigRej= -1.00D+00 NBFU=   224
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   238   238   238   238   238 MxSgAt=    14 MxSgA2=    14.
 Leave Link  302 at Thu Aug 12 19:37:33 2021, MaxMem=  5368709120 cpu:              12.3 elap:               1.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Aug 12 19:37:34 2021, MaxMem=  5368709120 cpu:               2.0 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "10_L-serine_conformer08_STD_B3LYPDBJ_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000   -0.000000   -0.000000
         Rot=    1.000000   -0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Aug 12 19:37:35 2021, MaxMem=  5368709120 cpu:               4.8 elap:               0.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368591572 LenY=  5368534487
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf= 990000000 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=         0 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -399.042106657729    
 DIIS: error= 2.45D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -399.042106657729     IErMin= 1 ErrMin= 2.45D-03
 ErrMax= 2.45D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.47D-03 BMatP= 5.47D-03
 IDIUse=3 WtCom= 9.75D-01 WtEn= 2.45D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.261 Goal=   None    Shift=    0.000
 GapD=    0.261 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=7.39D-03 MaxDP=2.08D-01              OVMax= 2.49D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  7.39D-03    CP:  1.00D+00
 E= -399.047777575068     Delta-E=       -0.005670917339 Rises=F Damp=F
 DIIS: error= 4.70D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -399.047777575068     IErMin= 2 ErrMin= 4.70D-04
 ErrMax= 4.70D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.59D-04 BMatP= 5.47D-03
 IDIUse=3 WtCom= 9.95D-01 WtEn= 4.70D-03
 Coeff-Com:  0.980D-02 0.990D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.975D-02 0.990D+00
 Gap=     0.245 Goal=   None    Shift=    0.000
 RMSDP=4.47D-04 MaxDP=1.75D-02 DE=-5.67D-03 OVMax= 5.50D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  3.43D-04    CP:  1.00D+00  1.04D+00
 E= -399.047607442821     Delta-E=        0.000170132247 Rises=F Damp=F
 DIIS: error= 7.53D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -399.047777575068     IErMin= 2 ErrMin= 4.70D-04
 ErrMax= 7.53D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.15D-04 BMatP= 1.59D-04
 IDIUse=3 WtCom= 2.67D-01 WtEn= 7.33D-01
 Coeff-Com: -0.162D-01 0.631D+00 0.385D+00
 Coeff-En:   0.000D+00 0.681D+00 0.319D+00
 Coeff:     -0.434D-02 0.668D+00 0.336D+00
 Gap=     0.243 Goal=   None    Shift=    0.000
 RMSDP=1.06D-04 MaxDP=6.42D-03 DE= 1.70D-04 OVMax= 3.42D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  8.08D-05    CP:  1.00D+00  1.04D+00  8.22D-01
 E= -399.047901236755     Delta-E=       -0.000293793934 Rises=F Damp=F
 DIIS: error= 7.70D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -399.047901236755     IErMin= 4 ErrMin= 7.70D-05
 ErrMax= 7.70D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.02D-06 BMatP= 1.59D-04
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.756D-02 0.264D+00 0.112D+00 0.631D+00
 Coeff:     -0.756D-02 0.264D+00 0.112D+00 0.631D+00
 Gap=     0.243 Goal=   None    Shift=    0.000
 RMSDP=2.33D-05 MaxDP=1.34D-03 DE=-2.94D-04 OVMax= 8.20D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  1.85D-05    CP:  1.00D+00  1.04D+00  8.40D-01  1.11D+00
 E= -399.047903868159     Delta-E=       -0.000002631404 Rises=F Damp=F
 DIIS: error= 5.53D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -399.047903868159     IErMin= 5 ErrMin= 5.53D-05
 ErrMax= 5.53D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.65D-06 BMatP= 5.02D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.188D-02 0.426D-01-0.613D-02 0.437D+00 0.528D+00
 Coeff:     -0.188D-02 0.426D-01-0.613D-02 0.437D+00 0.528D+00
 Gap=     0.243 Goal=   None    Shift=    0.000
 RMSDP=9.67D-06 MaxDP=5.41D-04 DE=-2.63D-06 OVMax= 5.22D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  6.17D-06    CP:  1.00D+00  1.04D+00  8.49D-01  1.15D+00  7.93D-01
 E= -399.047905034874     Delta-E=       -0.000001166716 Rises=F Damp=F
 DIIS: error= 1.16D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -399.047905034874     IErMin= 6 ErrMin= 1.16D-05
 ErrMax= 1.16D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.07D-07 BMatP= 1.65D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.396D-03-0.485D-03-0.130D-01 0.182D+00 0.294D+00 0.538D+00
 Coeff:     -0.396D-03-0.485D-03-0.130D-01 0.182D+00 0.294D+00 0.538D+00
 Gap=     0.243 Goal=   None    Shift=    0.000
 RMSDP=3.10D-06 MaxDP=1.10D-04 DE=-1.17D-06 OVMax= 9.83D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  1.89D-06    CP:  1.00D+00  1.04D+00  8.51D-01  1.16D+00  7.74D-01
                    CP:  7.18D-01
 E= -399.047905126317     Delta-E=       -0.000000091443 Rises=F Damp=F
 DIIS: error= 2.17D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -399.047905126317     IErMin= 7 ErrMin= 2.17D-06
 ErrMax= 2.17D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.05D-09 BMatP= 1.07D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.342D-04-0.426D-02-0.454D-02 0.361D-01 0.724D-01 0.204D+00
 Coeff-Com:  0.696D+00
 Coeff:      0.342D-04-0.426D-02-0.454D-02 0.361D-01 0.724D-01 0.204D+00
 Coeff:      0.696D+00
 Gap=     0.243 Goal=   None    Shift=    0.000
 RMSDP=7.37D-07 MaxDP=2.85D-05 DE=-9.14D-08 OVMax= 1.22D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  4.10D-07    CP:  1.00D+00  1.04D+00  8.52D-01  1.16D+00  7.85D-01
                    CP:  7.52D-01  8.73D-01
 E= -399.047905128914     Delta-E=       -0.000000002596 Rises=F Damp=F
 DIIS: error= 6.13D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -399.047905128914     IErMin= 8 ErrMin= 6.13D-07
 ErrMax= 6.13D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.53D-10 BMatP= 3.05D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.285D-04-0.188D-02-0.140D-02 0.834D-02 0.186D-01 0.695D-01
 Coeff-Com:  0.340D+00 0.567D+00
 Coeff:      0.285D-04-0.188D-02-0.140D-02 0.834D-02 0.186D-01 0.695D-01
 Coeff:      0.340D+00 0.567D+00
 Gap=     0.243 Goal=   None    Shift=    0.000
 RMSDP=1.69D-07 MaxDP=7.15D-06 DE=-2.60D-09 OVMax= 3.69D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  1.34D-07    CP:  1.00D+00  1.04D+00  8.53D-01  1.16D+00  7.85D-01
                    CP:  7.55D-01  8.87D-01  8.22D-01
 E= -399.047905129142     Delta-E=       -0.000000000229 Rises=F Damp=F
 DIIS: error= 2.50D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -399.047905129142     IErMin= 9 ErrMin= 2.50D-07
 ErrMax= 2.50D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.02D-11 BMatP= 3.53D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.120D-04-0.393D-03-0.106D-03-0.467D-03-0.639D-03 0.762D-02
 Coeff-Com:  0.821D-01 0.301D+00 0.610D+00
 Coeff:      0.120D-04-0.393D-03-0.106D-03-0.467D-03-0.639D-03 0.762D-02
 Coeff:      0.821D-01 0.301D+00 0.610D+00
 Gap=     0.243 Goal=   None    Shift=    0.000
 RMSDP=4.99D-08 MaxDP=2.59D-06 DE=-2.29D-10 OVMax= 1.54D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  3.97D-08    CP:  1.00D+00  1.04D+00  8.53D-01  1.16D+00  7.85D-01
                    CP:  7.56D-01  8.95D-01  8.42D-01  8.20D-01
 E= -399.047905129185     Delta-E=       -0.000000000042 Rises=F Damp=F
 DIIS: error= 5.13D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -399.047905129185     IErMin=10 ErrMin= 5.13D-08
 ErrMax= 5.13D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.80D-12 BMatP= 5.02D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.372D-05-0.754D-04 0.404D-04-0.780D-03-0.156D-02-0.505D-03
 Coeff-Com:  0.204D-01 0.114D+00 0.297D+00 0.572D+00
 Coeff:      0.372D-05-0.754D-04 0.404D-04-0.780D-03-0.156D-02-0.505D-03
 Coeff:      0.204D-01 0.114D+00 0.297D+00 0.572D+00
 Gap=     0.243 Goal=   None    Shift=    0.000
 RMSDP=1.59D-08 MaxDP=7.28D-07 DE=-4.23D-11 OVMax= 3.27D-07

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  1.27D-08    CP:  1.00D+00  1.04D+00  8.53D-01  1.16D+00  7.85D-01
                    CP:  7.56D-01  8.95D-01  8.54D-01  8.15D-01  8.24D-01
 E= -399.047905129215     Delta-E=       -0.000000000030 Rises=F Damp=F
 DIIS: error= 1.30D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -399.047905129215     IErMin=11 ErrMin= 1.30D-08
 ErrMax= 1.30D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.29D-13 BMatP= 2.80D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.304D-06 0.616D-05 0.228D-04-0.241D-03-0.490D-03-0.744D-03
 Coeff-Com:  0.348D-03 0.138D-01 0.505D-01 0.218D+00 0.719D+00
 Coeff:      0.304D-06 0.616D-05 0.228D-04-0.241D-03-0.490D-03-0.744D-03
 Coeff:      0.348D-03 0.138D-01 0.505D-01 0.218D+00 0.719D+00
 Gap=     0.243 Goal=   None    Shift=    0.000
 RMSDP=3.71D-09 MaxDP=1.22D-07 DE=-3.04D-11 OVMax= 8.15D-08

 SCF Done:  E(RB3LYP) =  -399.047905129     A.U. after   11 cycles
            NFock= 11  Conv=0.37D-08     -V/T= 2.0059
 KE= 3.967185879902D+02 PE=-1.580539159267D+03 EE= 4.622533291106D+02
 Leave Link  502 at Thu Aug 12 19:38:40 2021, MaxMem=  5368709120 cpu:             513.1 elap:              64.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   224
 NBasis=   224 NAE=    28 NBE=    28 NFC=     0 NFV=     0
 NROrb=    224 NOA=    28 NOB=    28 NVA=   196 NVB=   196

 **** Warning!!: The largest alpha MO coefficient is  0.48782937D+02

 Leave Link  801 at Thu Aug 12 19:38:40 2021, MaxMem=  5368709120 cpu:               0.7 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         4334 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          14
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 9.15D-14 8.33D-09 XBig12= 1.00D+00 2.51D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 9.15D-14 8.33D-09 XBig12= 4.07D-01 9.54D-02.
     11 vectors produced by pass  2 Test12= 9.15D-14 8.33D-09 XBig12= 4.49D-02 4.84D-02.
     11 vectors produced by pass  3 Test12= 9.15D-14 8.33D-09 XBig12= 2.34D-03 7.60D-03.
     11 vectors produced by pass  4 Test12= 9.15D-14 8.33D-09 XBig12= 8.16D-05 1.77D-03.
     11 vectors produced by pass  5 Test12= 9.15D-14 8.33D-09 XBig12= 1.88D-06 2.19D-04.
     11 vectors produced by pass  6 Test12= 9.15D-14 8.33D-09 XBig12= 4.15D-08 2.62D-05.
     11 vectors produced by pass  7 Test12= 9.15D-14 8.33D-09 XBig12= 3.55D-10 2.17D-06.
      7 vectors produced by pass  8 Test12= 9.15D-14 8.33D-09 XBig12= 1.30D-12 1.13D-07.
      1 vectors produced by pass  9 Test12= 9.15D-14 8.33D-09 XBig12= 5.57D-15 1.11D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.13D-14
 Solved reduced A of dimension    96 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.686985D+02
      2 -0.360940D+00  0.664200D+02
      3 -0.700186D+00 -0.276979D+00  0.488924D+02
 Isotropic polarizability for W=    0.088559       61.34 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1   0.318128D+02 -0.539232D+01 -0.157534D+01
      2  -0.208886D+02  0.391902D+01 -0.233539D+01
      3  -0.109242D+02  0.147330D+01  0.391073D+01
      4   0.115306D+01 -0.803961D+01 -0.356344D+01
      5   0.375658D+01 -0.573417D+01  0.262628D+02
      6  -0.183604D+01  0.256643D+01  0.664481D+01
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.886243D+00 -0.173926D+01 -0.156748D+01
      2   0.258576D+01 -0.914884D+00  0.116229D+02
      3   0.672032D+01  0.541868D+01  0.231290D+01
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1  -0.217073D+01  0.490182D+01 -0.517151D+01
      2  -0.533191D+01 -0.172740D+01  0.371870D+02
      3   0.654538D+01 -0.128490D+02  0.389813D+01
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1   0.156325D+00 -0.265387D+00 -0.111648D+01
      2  -0.265387D+00  0.281478D+00 -0.121816D+01
      3  -0.111648D+01 -0.121816D+01  0.739681D-01
 OR G Eigenvalues:    -1.6382     0.4767     1.6733  Iso=    -0.1706
 Eigenvectors:
   (1)   0.507379   0.510619   0.694143
   (2)   0.745183  -0.664516  -0.055862
   (3)  -0.432745  -0.545607   0.717667
 w=    0.088559 a.u., Optical Rotation Beta=     -0.1706 au.
 Molar Mass =    105.0932 grams/mole, [Alpha] ( 5145.0 A) =      -82.31 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   25200 ScalPx= 6.38D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   25200 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.87D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 1.52D-14 2.78D-09 XBig12= 1.00D+00 4.84D-01.
     30 vectors produced by pass  1 Test12= 1.52D-14 2.78D-09 XBig12= 3.01D-02 3.82D-02.
     30 vectors produced by pass  2 Test12= 1.52D-14 2.78D-09 XBig12= 2.89D-04 1.92D-03.
     30 vectors produced by pass  3 Test12= 1.52D-14 2.78D-09 XBig12= 2.51D-06 2.12D-04.
     30 vectors produced by pass  4 Test12= 1.52D-14 2.78D-09 XBig12= 8.42D-09 1.33D-05.
     30 vectors produced by pass  5 Test12= 1.52D-14 2.78D-09 XBig12= 1.70D-11 4.64D-07.
     22 vectors produced by pass  6 Test12= 1.52D-14 2.78D-09 XBig12= 2.67D-14 1.51D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.44D-15
 Solved reduced A of dimension   202 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   25200 ScalPx= 2.75D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   25200 ScalPx= 2.75D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   25200 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 3.27D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.686985D+02 -0.360940D+00 -0.700186D+00
      2  -0.360940D+00  0.664200D+02 -0.276979D+00
      3  -0.700186D+00 -0.276979D+00  0.488924D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.886243D+00 -0.173926D+01 -0.156748D+01
      2   0.258576D+01 -0.914884D+00  0.116229D+02
      3   0.672032D+01  0.541868D+01  0.231290D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.318128D+02 -0.539232D+01 -0.157534D+01
      2  -0.208886D+02  0.391902D+01 -0.233539D+01
      3  -0.109242D+02  0.147330D+01  0.391073D+01
      4   0.115306D+01 -0.803961D+01 -0.356344D+01
      5   0.375658D+01 -0.573417D+01  0.262628D+02
      6  -0.183604D+01  0.256643D+01  0.664481D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    42 ND12= 1 LenFil=    1515:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.983859D+00 -0.214955D+01  0.985395D+00 -0.302477D+01  0.116502D+01
      2  -0.214955D+01  0.273030D+01 -0.416889D+00  0.116502D+01  0.464697D+01
      3   0.985395D+00 -0.416889D+00  0.156658D+01  0.327056D-01  0.172010D+01
                 6             7             8             9            10 
      1   0.327056D-01  0.180603D+01 -0.259297D+00  0.136086D+01  0.163986D+01
      2   0.172010D+01 -0.259297D+00  0.227446D+01  0.102373D+01  0.326838D+01
      3   0.479286D+00  0.136086D+01  0.102373D+01 -0.859660D+01 -0.611628D+00
                11            12            13            14            15 
      1   0.326838D+01 -0.611628D+00  0.218453D+01 -0.657009D-01 -0.363213D-01
      2  -0.247018D+01  0.628014D+00 -0.657009D-01 -0.393444D+01 -0.881093D+00
      3   0.628014D+00 -0.608576D+00 -0.363213D-01 -0.881093D+00  0.477907D+00
                16            17            18            19            20 
      1  -0.542997D+00  0.120513D+01 -0.619810D+00 -0.261748D+01 -0.224446D+01
      2   0.120513D+01 -0.158734D+01 -0.885296D-01 -0.224446D+01  0.179224D+01
      3  -0.619810D+00 -0.885296D-01  0.765039D+01 -0.133349D+00  0.260327D-01
                21            22            23            24            25 
      1  -0.133349D+00 -0.601638D+00  0.313164D+01  0.131404D+00  0.114662D+00
      2   0.260327D-01  0.313164D+01  0.658301D+01 -0.953288D-01  0.241574D+00
      3  -0.479958D+00  0.131404D+00 -0.953288D-01  0.500207D+00 -0.230795D+00
                26            27            28            29            30 
      1   0.241574D+00 -0.230795D+00 -0.792861D+01  0.180796D+01  0.372117D+00
      2   0.448396D+00  0.270213D+00  0.180796D+01 -0.275710D+01 -0.249278D+00
      3   0.270213D+00 -0.462668D+00  0.372117D+00 -0.249278D+00 -0.926989D+00
                31            32            33            34            35 
      1  -0.203196D+01 -0.420681D+01 -0.968295D-01  0.995077D+00 -0.226607D+00
      2  -0.420681D+01 -0.109499D+01  0.169354D+00 -0.226607D+00  0.160460D+00
      3  -0.968295D-01  0.169354D+00  0.536697D+00 -0.179254D+01  0.122080D+01
                36            37            38            39            40 
      1  -0.179254D+01  0.679724D+00  0.300043D+01 -0.157357D+01  0.655147D+01
      2   0.122080D+01  0.300043D+01 -0.125898D+01  0.629289D+00 -0.991295D+00
      3   0.723706D+00 -0.157357D+01  0.629289D+00 -0.706897D+00  0.617387D+00
                41            42            43            44            45 
      1  -0.991295D+00  0.617387D+00 -0.389164D+01  0.796392D+00  0.763204D+00
      2   0.247967D+01 -0.104716D+01  0.796392D+00 -0.105003D+01  0.419602D+00
      3  -0.104716D+01  0.532678D+00  0.763204D+00  0.419602D+00 -0.618658D+00
                46            47            48            49            50 
      1  -0.247372D+01 -0.279821D+01  0.110205D+01 -0.145950D+01 -0.182844D+01
      2  -0.279821D+01 -0.135539D+01  0.758252D-01 -0.182844D+01  0.478540D+01
      3   0.110205D+01  0.758252D-01 -0.194885D+01  0.342303D+00  0.800956D+00
                51            52            53            54            55 
      1   0.342303D+00  0.150733D+01  0.340370D+00 -0.215930D+01 -0.200346D+01
      2   0.800956D+00  0.340370D+00  0.100177D+01 -0.866985D+00 -0.319914D+01
      3  -0.733179D+00 -0.215930D+01 -0.866985D+00 -0.460211D+01 -0.125627D-01
                56            57            58            59            60 
      1  -0.319914D+01 -0.125627D-01 -0.420007D+01 -0.301987D+01 -0.908170D-02
      2  -0.286624D+01 -0.201739D+00 -0.301987D+01 -0.131182D+02  0.551325D-01
      3  -0.201739D+00 -0.271187D+00 -0.908170D-02  0.551325D-01 -0.243526D+01
                61            62            63            64            65 
      1  -0.222653D+00 -0.995522D-02 -0.108497D+01  0.435289D+00 -0.498031D+00
      2  -0.995522D-02  0.134021D+00 -0.320201D+01 -0.498031D+00  0.519169D+00
      3  -0.108497D+01 -0.320201D+01  0.102051D+00 -0.104012D+01 -0.918046D-01
                66            67            68            69            70 
      1  -0.104012D+01 -0.857432D+00  0.380015D+00  0.828422D-01 -0.204731D+01
      2  -0.918046D-01  0.380015D+00  0.655712D+00 -0.104390D+01 -0.195619D+00
      3   0.105355D+01  0.828422D-01 -0.104390D+01 -0.304776D+00  0.695082D+00
                71            72            73            74            75 
      1  -0.195619D+00  0.695082D+00 -0.413303D+00  0.195629D+00  0.111596D+01
      2  -0.152498D+01  0.227296D+00  0.195629D+00 -0.299962D+00  0.126906D+00
      3   0.227296D+00 -0.885674D+01  0.111596D+01  0.126906D+00 -0.947922D+00
                76            77            78            79            80 
      1   0.620178D+00 -0.214867D+00 -0.762878D-02  0.209959D+01 -0.248946D+00
      2  -0.214867D+00 -0.833858D+00  0.102377D+01 -0.248946D+00  0.126868D+01
      3  -0.762878D-02  0.102377D+01  0.233184D+00 -0.441299D+00 -0.127096D+01
                81            82            83            84            85 
      1  -0.441299D+00 -0.865862D+00 -0.766407D+00 -0.569339D+00 -0.144206D+01
      2  -0.127096D+01 -0.766407D+00 -0.407293D+00  0.259764D-01 -0.208562D-01
      3   0.918462D+01 -0.569339D+00  0.259764D-01 -0.376381D-01 -0.852066D-01
                86            87            88            89            90 
      1  -0.208562D-01 -0.852066D-01 -0.119507D+01  0.906029D-01 -0.213413D+00
      2  -0.847072D+01 -0.119144D+01  0.906029D-01 -0.198837D+01 -0.144679D+01
      3  -0.119144D+01 -0.118381D+01 -0.213413D+00 -0.144679D+01 -0.854530D-02
                91            92            93            94            95 
      1   0.218600D+01  0.216219D+01 -0.152844D+00  0.520120D+01  0.173073D+00
      2   0.216219D+01  0.398652D+00  0.153231D+00  0.173073D+00  0.520446D+01
      3  -0.152844D+00  0.153231D+00 -0.409063D+00 -0.894232D-01  0.133507D+00
                96            97            98            99           100 
      1  -0.894232D-01 -0.336969D+00 -0.858970D-01 -0.663680D+00  0.154534D+00
      2   0.133507D+00 -0.858970D-01 -0.111882D+00  0.669661D+00  0.887058D+00
      3   0.900841D+00 -0.663680D+00  0.669661D+00  0.593894D-01  0.706767D+00
               101           102           103           104           105 
      1   0.887058D+00  0.706767D+00  0.666373D+00  0.283368D+00  0.478247D+00
      2   0.462145D+00  0.702721D+00  0.283368D+00  0.127481D+01  0.740125D+00
      3   0.702721D+00  0.106651D+01  0.478247D+00  0.740125D+00  0.749775D+00
               106           107           108           109           110 
      1   0.177676D+01  0.553526D+00  0.166977D+01  0.349292D+01  0.290012D+01
      2   0.553526D+00  0.255698D+01  0.208311D+01  0.290012D+01  0.356845D+01
      3   0.166977D+01  0.208311D+01  0.652471D+01 -0.114959D+01 -0.964544D+00
               111           112           113           114           115 
      1  -0.114959D+01  0.318392D+01  0.252225D+01 -0.822440D+00 -0.250156D+01
      2  -0.964544D+00  0.252225D+01  0.378792D+01 -0.929254D+00 -0.145732D+01
      3   0.140786D+01 -0.822440D+00 -0.929254D+00  0.105863D+01  0.136339D+01
               116           117           118           119           120 
      1  -0.145732D+01  0.136339D+01  0.869796D+01 -0.256596D+01  0.960711D+00
      2  -0.226411D+01  0.141815D+01 -0.256596D+01  0.194419D+01 -0.443740D+00
      3   0.141815D+01 -0.145133D+01  0.960711D+00 -0.443740D+00  0.124258D+01
               121           122           123           124           125 
      1  -0.479026D+01  0.269247D+01 -0.537958D+00  0.243875D+01 -0.743953D+00
      2   0.269247D+01 -0.196577D+01  0.545228D+00 -0.743953D+00  0.681943D+00
      3  -0.537958D+00  0.545228D+00 -0.812180D+00  0.135349D+01 -0.457284D+00
               126 
      1   0.135349D+01
      2  -0.457284D+00
      3   0.351779D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.126518D+01  0.395890D+00  0.253644D+01 -0.103599D+01  0.796668D+01
      2   0.253233D+01 -0.126244D+01 -0.228211D+00 -0.225963D-01  0.639928D+00
      3   0.331973D+01  0.153662D+01  0.428010D+00  0.694371D+01 -0.743720D+01
                 6             7             8             9            10 
      1  -0.105673D+01  0.185400D+01  0.296800D+01 -0.722522D+01 -0.124220D+01
      2  -0.856086D+00 -0.133892D+01  0.126407D+01 -0.631918D+01  0.170111D+01
      3  -0.222396D+01 -0.264799D+01 -0.304786D+01 -0.278646D+01  0.105733D+01
                11            12            13            14            15 
      1   0.867106D+00 -0.498225D+00  0.109808D+01  0.458644D+00 -0.305650D+00
      2  -0.902854D+00  0.304346D+01  0.234674D+01 -0.207596D+01  0.106252D+01
      3  -0.464810D+01  0.619546D+00 -0.149331D+01  0.110455D+01  0.687686D+00
                16            17            18            19            20 
      1  -0.111750D+01  0.475333D+01  0.657135D-01  0.843368D+00  0.791192D+00
      2  -0.314705D+01  0.321986D+00  0.130563D+01 -0.482264D+01  0.964577D-01
      3  -0.113155D+01  0.157677D+01  0.634696D+00 -0.709866D+01  0.854580D+00
                21            22            23            24            25 
      1   0.161369D+00  0.192296D+01  0.110260D-01  0.960045D+01 -0.492493D+00
      2  -0.579667D+01 -0.822648D+00  0.185090D+01 -0.188200D+01 -0.191634D+02
      3  -0.246934D+00 -0.390621D+00  0.104864D+02 -0.183891D+01  0.267298D+01
                26            27            28            29            30 
      1   0.101230D+02  0.343396D-01 -0.892242D+00 -0.615662D+00  0.297540D+01
      2  -0.125487D+01  0.331457D+01  0.443943D+00  0.341965D+00  0.799422D+01
      3  -0.241069D+01  0.989371D+00 -0.547277D+01 -0.159897D+02 -0.270353D-01
                31            32            33            34            35 
      1  -0.246860D+00 -0.638887D+00 -0.404191D+01  0.781714D+00  0.215176D+01
      2   0.100011D+01 -0.207839D+00 -0.968175D+00  0.547344D+01 -0.106521D+01
      3  -0.123559D+02 -0.111148D+02  0.835052D-01  0.843815D-02  0.196177D+01
                36            37            38            39            40 
      1  -0.530526D+00 -0.567583D+00 -0.729254D+00 -0.192847D+01  0.118607D+01
      2  -0.218242D+01 -0.722040D+01  0.206897D+01  0.445626D+01  0.243322D+01
      3   0.185248D+01 -0.138947D+02 -0.310336D+01 -0.113356D+01  0.529153D+01
                41            42            43            44            45 
      1  -0.758143D+00 -0.162563D+01  0.650633D-01  0.317922D+01 -0.208135D+00
      2  -0.231803D+01  0.420622D+01 -0.433488D+01  0.168718D+01 -0.377799D+01
      3  -0.999997D+01  0.193763D+01 -0.102040D+01  0.401113D+01 -0.186199D+01
                46            47            48            49            50 
      1  -0.280782D+01 -0.116800D+01  0.506399D+01 -0.231056D+01 -0.408894D+01
      2  -0.129032D+00  0.190525D+01  0.372048D+01  0.734597D+00  0.556579D+00
      3  -0.542889D+01 -0.132986D+02  0.189328D+01  0.133232D+01 -0.209674D+01
                51            52            53            54            55 
      1  -0.294410D+01  0.593208D+01  0.715171D+01  0.873426D+01  0.169240D+00
      2  -0.801001D+00 -0.342332D+01 -0.739900D+00  0.338499D+00  0.204647D+00
      3   0.888228D+00  0.399155D+01  0.118130D+01 -0.501777D+01  0.198149D+00
                56            57            58            59            60 
      1  -0.122951D-01 -0.302951D+01 -0.149855D+00  0.105156D+01 -0.112503D+02
      2   0.142914D+00  0.496264D+01 -0.118321D+01 -0.976049D+00  0.460651D+01
      3  -0.593579D+01 -0.198281D+00  0.105219D+02 -0.183982D+02  0.687301D+00
                61            62            63            64            65 
      1  -0.362821D+00  0.848433D+00  0.428807D+00  0.257363D+00 -0.849254D+00
      2   0.283393D+01  0.442043D+01 -0.122806D+01  0.768106D+00 -0.235255D+00
      3  -0.158030D+01  0.666281D+00 -0.462540D+01  0.305071D+00 -0.660229D+00
                66            67            68            69            70 
      1   0.739587D-01 -0.641260D+00 -0.728521D+00 -0.438532D+00  0.316841D+00
      2   0.824551D+00 -0.352033D+00  0.495383D+00 -0.552158D+00 -0.255220D+01
      3  -0.232081D+00  0.138075D+01 -0.327272D+00  0.207170D+00 -0.806376D-02
                71            72            73            74            75 
      1   0.297422D+01  0.110427D+01  0.111249D+01 -0.549610D+00 -0.439373D+00
      2  -0.120948D+00 -0.191519D+01  0.189639D+01  0.307794D+00 -0.390600D+00
      3   0.318759D+00  0.208007D+00  0.524626D+00 -0.854743D+00 -0.111100D+01
                76            77            78            79            80 
      1  -0.442878D+00  0.453298D+00 -0.442072D+00 -0.881939D+00  0.291944D+01
      2  -0.208903D+00  0.148067D+01 -0.776926D-02 -0.526988D+01 -0.113052D+01
      3   0.429156D+00  0.904727D+00 -0.925167D+00 -0.167804D+01 -0.943153D+00
                81            82            83            84            85 
      1   0.853094D+01 -0.112302D+01 -0.123330D-01 -0.380095D+00 -0.341147D+00
      2   0.946374D+01 -0.554716D+00  0.305621D+00  0.724536D+00 -0.371990D+00
      3   0.203621D+01  0.318932D+01  0.131239D+01  0.675381D+00  0.557869D+01
                86            87            88            89            90 
      1  -0.448007D+01 -0.440719D+01 -0.347799D+00 -0.151785D+01 -0.952350D+00
      2  -0.546614D+00 -0.773057D+00 -0.133155D+01 -0.112537D+01 -0.158966D+00
      3   0.986429D+01  0.179793D+01  0.210034D+01  0.226949D+01  0.185210D+01
                91            92            93            94            95 
      1   0.772237D+00  0.371059D+00  0.102423D+01  0.319862D+00  0.826671D+00
      2  -0.487129D+00 -0.684031D+00 -0.147591D+01 -0.436365D+00 -0.746790D+00
      3   0.854623D+01  0.103489D+02 -0.650133D-01  0.138162D+02  0.175481D+02
                96            97            98            99           100 
      1  -0.123823D+01  0.101832D+01  0.102190D+01  0.276099D+00 -0.113648D+01
      2  -0.225802D+01 -0.207745D+01 -0.193654D+01  0.517453D-01 -0.493084D+00
      3   0.514258D+00 -0.551803D+00 -0.930981D+00 -0.402239D-01  0.392931D+00
               101           102           103           104           105 
      1  -0.773874D+00 -0.278214D+01 -0.555971D+00 -0.178440D+01 -0.230663D+01
      2   0.956882D-01  0.431031D+00  0.762631D-01 -0.157352D+00  0.352614D+00
      3   0.101586D+01  0.747251D+00  0.199111D+01  0.392306D+00  0.772828D+00
               106           107           108           109           110 
      1  -0.447166D+01 -0.185845D+01 -0.135178D+02  0.262526D+01  0.225132D+01
      2  -0.247709D+01  0.658779D+00  0.696983D+00  0.800083D+00 -0.302882D+00
      3   0.365684D+01  0.238896D-01  0.346365D+01  0.800361D+01  0.361750D+01
               111           112           113           114           115 
      1  -0.393578D+01  0.200000D+01  0.184787D+01 -0.251826D+01 -0.301630D+01
      2   0.118076D+01 -0.986270D-01  0.325922D-01  0.977210D+00 -0.722268D+00
      3  -0.242853D+01  0.733270D+01  0.316839D+01 -0.157096D+01 -0.604148D+01
               116           117           118           119           120 
      1  -0.181923D+01  0.268937D+01  0.724217D+00  0.337144D-01  0.115821D+01
      2   0.418267D+00 -0.802753D+00  0.501007D+01 -0.201557D+01  0.499943D+01
      3  -0.208292D+01  0.240422D+01  0.653829D+01 -0.740582D+01  0.121733D+01
               121           122           123           124           125 
      1  -0.452151D+00  0.158075D-02 -0.147125D+01  0.542271D+00  0.315111D+00
      2  -0.309456D+01  0.197257D+01 -0.310681D+01  0.318090D+01 -0.121652D+01
      3  -0.602855D+01  0.572471D+01 -0.136753D+01  0.222948D+01 -0.259379D+01
               126 
      1   0.431845D+00
      2   0.156340D+01
      3   0.891115D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.187610D+02 -0.345351D+00 -0.230849D+01 -0.790830D+01  0.133248D+02
      2   0.103636D+02 -0.248129D+01 -0.472771D+01  0.354455D+01 -0.188870D+02
      3   0.839745D+01  0.282664D+01  0.703620D+01  0.436375D+01  0.556224D+01
      4  -0.393254D+01  0.474125D+00 -0.220277D+01  0.775639D+01  0.672266D+01
      5   0.453961D+01 -0.256076D+01 -0.409815D+01  0.105827D+01  0.371604D+01
      6  -0.426517D+01  0.272957D+01 -0.334373D+01  0.119264D+01 -0.703543D+01
                 6             7             8             9            10 
      1   0.277160D+01  0.615499D+01  0.251284D+01  0.192948D+02 -0.990757D+00
      2  -0.637299D+01 -0.565186D+01 -0.484361D+01  0.199704D+01  0.488774D+01
      3   0.360139D+01 -0.503129D+00  0.233077D+01 -0.212918D+02 -0.389698D+01
      4   0.303963D+01  0.371761D+00  0.547638D+01  0.118410D+01  0.209190D+00
      5  -0.169883D+01  0.478968D+01  0.256305D+01 -0.156903D+02 -0.652185D+00
      6   0.127289D+01 -0.155591D+01 -0.966085D+00  0.872555D+01  0.160266D+01
                11            12            13            14            15 
      1   0.185254D+01 -0.755679D+00  0.195986D+01  0.647767D+01  0.496830D+00
      2  -0.150336D+01  0.188119D-01 -0.346974D+00 -0.105717D+02 -0.141164D+01
      3  -0.349187D+00  0.736867D+00 -0.161288D+01  0.409404D+01  0.914812D+00
      4   0.344818D+01  0.745227D+00 -0.740824D+01  0.555923D+00 -0.114792D+01
      5   0.107400D+01  0.100455D+01 -0.110898D+00 -0.745875D+00  0.175475D+01
      6  -0.242143D+01  0.287338D+00 -0.284692D+01 -0.251834D-01 -0.433481D+01
                16            17            18            19            20 
      1  -0.623370D+01  0.132587D+01  0.601698D+01 -0.527866D+01  0.117129D+02
      2   0.789409D+00 -0.508614D+01  0.110370D+02  0.469775D+00 -0.120483D+02
      3   0.544429D+01  0.376027D+01 -0.170540D+02  0.480889D+01  0.335430D+00
      4  -0.230905D+01 -0.126936D+01  0.292340D+00  0.507479D+01 -0.135300D+02
      5  -0.153100D+01 -0.785823D+00  0.893274D+01 -0.682746D+00 -0.153418D+01
      6  -0.448443D-01  0.161248D+01  0.145737D+01 -0.562518D+00 -0.104697D+00
                21            22            23            24            25 
      1  -0.920263D+00 -0.547374D+00  0.515090D+01 -0.306291D+00  0.249852D+01
      2  -0.180719D+01 -0.410844D+01 -0.167672D+02  0.102240D+01 -0.222448D+01
      3   0.272746D+01  0.465582D+01  0.116163D+02 -0.716109D+00 -0.274042D+00
      4  -0.109762D+01 -0.242665D+02 -0.236386D+02  0.538760D+00 -0.588256D+00
      5  -0.720592D+01 -0.209026D+01 -0.238078D+00 -0.183657D+01  0.228860D+01
      6   0.167125D+01 -0.611977D+00 -0.126320D+01 -0.147776D+02 -0.326172D+00
                26            27            28            29            30 
      1  -0.272761D+01 -0.559834D+01  0.443236D+02 -0.919566D+01 -0.396121D+00
      2   0.187439D+01 -0.670998D+01 -0.272424D+02  0.301840D+01  0.107239D+01
      3   0.853223D+00  0.123083D+02 -0.170812D+02  0.617726D+01 -0.676267D+00
      4   0.316544D+01 -0.197941D+01 -0.213130D+02  0.182613D+02  0.114391D+01
      5  -0.143577D+01  0.324532D+01 -0.154587D+01  0.525857D+00  0.148737D+02
      6   0.404418D+01  0.106523D+00  0.666794D+00 -0.353232D+00 -0.498410D+01
                31            32            33            34            35 
      1   0.498641D+01  0.106989D+02 -0.659424D+00 -0.146091D+01  0.844129D+00
      2  -0.677473D+01 -0.417807D+01  0.603129D-02  0.185547D+01 -0.160484D-02
      3   0.178832D+01 -0.652081D+01  0.653393D+00 -0.394556D+00 -0.842524D+00
      4   0.170078D+02 -0.396717D+01 -0.135645D+01  0.168392D+01 -0.154678D+01
      5  -0.700815D+00 -0.150986D+01 -0.345956D+01  0.140283D+02 -0.574719D+01
      6  -0.875290D+00  0.771327D+00  0.828259D+01 -0.198777D+01  0.524226D+01
                36            37            38            39            40 
      1   0.562434D+01  0.102581D+02  0.166263D+02 -0.651100D+01  0.340331D+02
      2  -0.787074D+01 -0.916973D+01 -0.724106D+01  0.684374D+01 -0.179710D+02
      3   0.224640D+01 -0.108840D+01 -0.938527D+01 -0.332742D+00 -0.160621D+02
      4  -0.541846D+01  0.205592D+02  0.189162D+01  0.431967D+01 -0.515723D+01
      5  -0.394101D+01 -0.120679D+02  0.417548D+01  0.926652D+01  0.388338D+01
      6   0.114651D+01  0.237019D+01 -0.981522D+00  0.111525D+01 -0.121153D+01
                41            42            43            44            45 
      1  -0.720333D+01  0.340978D+01 -0.194325D+02  0.369938D+01 -0.641508D+00
      2   0.627393D+01  0.226238D+00  0.106815D+02 -0.157875D+01 -0.556005D+01
      3   0.929402D+00 -0.363602D+01  0.875096D+01 -0.212063D+01  0.620155D+01
      4   0.152821D+02 -0.590250D+01  0.689278D+01 -0.722954D+01  0.247783D+01
      5  -0.510695D+01  0.610451D+01  0.874578D+01  0.319183D+01 -0.749910D+01
      6   0.154858D+01  0.320236D+01 -0.497494D+00  0.300846D+01  0.106242D+01
                46            47            48            49            50 
      1   0.140558D+02 -0.112018D+00  0.170999D+01  0.218252D+01 -0.184254D+02
      2  -0.144778D+02 -0.428618D+01  0.178856D+01 -0.641616D+01  0.281122D+02
      3   0.421979D+00  0.439820D+01 -0.349855D+01  0.423364D+01 -0.968688D+01
      4  -0.968079D+01 -0.679990D+01  0.358350D+01 -0.735657D+00 -0.650157D+01
      5   0.222447D+01  0.149729D+01  0.775161D+00  0.106618D+01  0.779301D+00
      6   0.521294D+01  0.310992D+01 -0.866667D+01  0.343368D+01  0.554166D+01
                51            52            53            54            55 
      1  -0.980526D+00 -0.158069D+00 -0.777287D-01  0.117551D+01  0.103042D+02
      2   0.426230D+01  0.323951D+01  0.572020D+01  0.666861D+00 -0.120522D+01
      3  -0.328178D+01 -0.308144D+01 -0.564247D+01 -0.184237D+01 -0.909894D+01
      4   0.182783D+01  0.508003D+01  0.249015D+01 -0.899608D+01  0.176915D+02
      5  -0.243725D+01  0.909311D+00 -0.355743D+01 -0.437581D+01  0.998901D+00
      6   0.321028D+01 -0.102047D+02 -0.129563D+01 -0.136955D+02  0.598323D+00
                56            57            58            59            60 
      1   0.471699D+01 -0.447889D+00  0.846899D+01 -0.212541D+02 -0.211179D+00
      2   0.379937D+01  0.564092D+00  0.321838D+01  0.420767D+02 -0.418604D+00
      3  -0.851636D+01 -0.116203D+00 -0.116874D+02 -0.208226D+02  0.629783D+00
      4   0.225906D+02  0.682321D+00  0.265055D+02  0.474665D+02  0.716331D+00
      5   0.940692D+00  0.757010D+01  0.123876D+01  0.137971D+01  0.921557D+01
      6   0.804729D+00  0.413079D+01  0.103662D+01  0.914733D+00  0.178647D+02
                61            62            63            64            65 
      1  -0.129185D+00  0.425766D+00 -0.335043D+01  0.111544D+01 -0.251596D+00
      2   0.712395D+00 -0.966300D+00  0.271464D+01 -0.383568D+01  0.674398D-01
      3  -0.583209D+00  0.540534D+00  0.635791D+00  0.272024D+01  0.184156D+00
      4  -0.162209D+00 -0.921735D+00  0.111397D+02 -0.462337D+00  0.152168D+01
      5   0.901310D+01  0.113370D+02 -0.533830D+00 -0.159684D+01 -0.376147D+00
      6   0.396208D+01  0.139323D+02 -0.181535D+00 -0.506140D+00  0.611983D+00
                66            67            68            69            70 
      1  -0.786107D-01  0.957196D-01 -0.418067D+01 -0.383065D-01  0.971570D+00
      2   0.145513D+01  0.765843D+00  0.612107D+00 -0.805719D+00  0.264066D+01
      3  -0.137652D+01 -0.861562D+00  0.356856D+01  0.844026D+00 -0.361223D+01
      4  -0.552264D+00  0.276224D+01 -0.185697D+00 -0.462236D+00  0.102208D+01
      5   0.676753D+01  0.214928D+00 -0.766049D+00 -0.901790D+00  0.512794D+01
      6   0.346682D+00 -0.517152D-01  0.284622D+00  0.705364D+01  0.228997D+00
                71            72            73            74            75 
      1   0.158574D+01 -0.176706D+02 -0.567809D+00  0.436031D+00  0.506587D+01
      2  -0.549750D+00 -0.163251D+02 -0.274217D+01 -0.295537D+00 -0.917668D+00
      3  -0.103599D+01  0.339957D+02  0.330998D+01 -0.140493D+00 -0.414820D+01
      4  -0.537050D+00 -0.214901D+00  0.543406D+00  0.997061D+00 -0.143688D+01
      5   0.425744D+00 -0.766356D+01  0.153248D+01 -0.317553D+00  0.459879D+01
      6   0.421035D+01 -0.308945D+01 -0.123859D+01 -0.103280D+01  0.753699D+00
                76            77            78            79            80 
      1   0.141615D+01 -0.554640D+01  0.127612D+01  0.722714D+01  0.287625D+01
      2  -0.731839D+00  0.296654D+01 -0.115284D+01 -0.206979D+01 -0.158322D+00
      3  -0.684313D+00  0.257986D+01 -0.123281D+00 -0.515735D+01 -0.271793D+01
      4   0.217467D+00 -0.131615D+01  0.242929D+01 -0.293359D+01  0.235174D+01
      5  -0.174097D+00  0.214919D+01  0.613803D+00  0.390405D+01 -0.341813D+01
      6  -0.464467D-01 -0.141924D+01  0.614007D+01  0.320559D+00  0.683037D+01
                81            82            83            84            85 
      1  -0.237820D+02 -0.793669D+00 -0.361129D+01 -0.175980D+01 -0.481249D+01
      2  -0.110314D+02  0.323041D+01  0.277516D+01  0.118042D+01  0.329740D+01
      3   0.348134D+02 -0.243674D+01  0.836131D+00  0.579380D+00  0.151508D+01
      4  -0.159835D+01 -0.918002D+00  0.381063D+01  0.122044D+01  0.498068D+01
      5   0.189525D+02 -0.950211D+00  0.452566D+00  0.128421D+01 -0.164974D+00
      6  -0.136085D+02  0.147043D+01  0.208025D+00  0.294402D+00  0.389971D+00
                86            87            88            89            90 
      1  -0.195005D+02 -0.252156D+01 -0.316218D+01 -0.407967D+01 -0.623974D+01
      2   0.328342D+02  0.510591D+01  0.245122D+01  0.591671D+01  0.340512D+01
      3  -0.133336D+02 -0.258435D+01  0.710960D+00 -0.183703D+01  0.283462D+01
      4  -0.179965D+02 -0.204391D+01  0.128396D+01 -0.450926D+01 -0.274690D+01
      5  -0.256749D+01 -0.213612D+01  0.427919D+00 -0.339785D+01 -0.394388D+00
      6   0.379216D+01  0.532810D+01  0.227724D+00  0.693416D+01  0.235835D+01
                91            92            93            94            95 
      1  -0.117810D+02 -0.236801D+01 -0.464174D-01 -0.135941D+02 -0.686591D+01
      2   0.104316D+02 -0.458592D+00  0.278385D+00  0.736456D+01  0.113287D+02
      3   0.134933D+01  0.282660D+01 -0.231968D+00  0.622956D+01 -0.446277D+01
      4  -0.116191D+01  0.792361D-01 -0.427279D+00  0.833146D+01 -0.175582D+02
      5   0.741412D+00  0.456722D+00 -0.184761D+01  0.118572D+01  0.315879D+00
      6  -0.244542D+00  0.106564D-01 -0.206307D+01  0.275494D-01  0.408318D+00
                96            97            98            99           100 
      1   0.214088D+00  0.103225D+01  0.111860D+00 -0.108863D+01 -0.101924D+01
      2  -0.172452D+00 -0.678165D+00 -0.263984D+00  0.255342D+00  0.106449D+01
      3  -0.416360D-01 -0.354088D+00  0.152123D+00  0.833292D+00 -0.452507D-01
      4  -0.322991D+00 -0.381334D+00  0.123449D+00 -0.276177D+01  0.202035D+01
      5  -0.408447D+01  0.261531D+01 -0.255436D+01  0.636635D-01  0.226258D+01
      6   0.182548D+01 -0.168222D+01  0.297399D+01 -0.135700D+00  0.223310D+01
               101           102           103           104           105 
      1  -0.789323D+00 -0.798377D+00 -0.930876D-01 -0.344628D+01 -0.158234D+01
      2   0.137968D+01  0.466057D+00  0.399028D+00  0.406093D+01  0.218221D+01
      3  -0.590356D+00  0.332320D+00 -0.305941D+00 -0.614653D+00 -0.599874D+00
      4   0.433449D+01  0.259438D+01  0.394695D+01  0.246397D+01  0.251299D+01
      5   0.150839D+01  0.399768D+01  0.817799D+00  0.163163D+01  0.151118D+01
      6   0.299101D+01  0.498943D+01  0.260094D+01  0.311364D+01  0.633372D+01
               106           107           108           109           110 
      1  -0.144534D+00 -0.595328D+01 -0.961812D+01  0.652493D+00 -0.366897D+01
      2  -0.129873D+01  0.439683D+01 -0.354435D+01  0.640232D+01  0.109665D+02
      3   0.144326D+01  0.155645D+01  0.131625D+02 -0.705482D+01 -0.729751D+01
      4   0.510926D+01  0.485929D+01  0.627575D+01  0.142886D+02  0.153802D+02
      5   0.439006D+01  0.318347D+01  0.814906D+01 -0.381648D+01 -0.303772D+01
      6   0.656564D+01  0.966538D+01  0.230275D+02 -0.638864D+01 -0.606604D+01
               111           112           113           114           115 
      1   0.524537D-01 -0.210140D+01 -0.588124D+01  0.127695D+01  0.125782D+01
      2  -0.289387D+01  0.797271D+01  0.138672D+02 -0.385469D+01 -0.337574D+01
      3   0.284141D+01 -0.587131D+01 -0.798594D+01  0.257775D+01  0.211792D+01
      4  -0.553116D+01  0.138043D+02  0.122855D+02 -0.432454D+01 -0.827611D+01
      5   0.423727D+01 -0.142097D+01 -0.274315D+01  0.174107D+01  0.425782D+01
      6   0.648688D+01 -0.490114D+01 -0.593528D+01  0.538457D+01  0.676042D+01
               116           117           118           119           120 
      1   0.349867D+01 -0.258303D+01  0.500805D+02 -0.154838D+02  0.626076D+01
      2  -0.592973D+01  0.232015D+01 -0.239760D+02  0.654843D+01 -0.285435D+01
      3   0.243106D+01  0.262876D+00 -0.261045D+02  0.893538D+01 -0.340641D+01
      4  -0.705405D+01  0.621322D+01 -0.232794D+02  0.139608D+02 -0.331845D+01
      5   0.345581D+01 -0.344176D+01  0.831261D+01 -0.308162D+01  0.766855D+01
      6   0.810853D+01 -0.651233D+01 -0.948826D+00  0.493821D+00 -0.101814D+01
               121           122           123           124           125 
      1  -0.238453D+02  0.123717D+02 -0.296109D+01  0.120455D+02 -0.385756D+01
      2   0.930543D+01 -0.316859D+01  0.101454D+01 -0.660459D+01  0.165471D+01
      3   0.145399D+02 -0.920308D+01  0.194655D+01 -0.544094D+01  0.220285D+01
      4   0.209534D+02 -0.139737D+02  0.379554D+01 -0.679323D+01  0.460133D+01
      5  -0.480303D+01  0.370571D+01 -0.438629D+01  0.973164D+01 -0.362129D+01
      6   0.116345D+01 -0.973682D+00  0.210639D+01 -0.212725D+01  0.211922D+01
               126 
      1   0.586595D+01
      2  -0.394949D+01
      3  -0.191646D+01
      4  -0.386711D+01
      5   0.349628D+01
      6  -0.938166D+00
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Aug 12 19:49:42 2021, MaxMem=  5368709120 cpu:            5235.2 elap:             661.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.19006 -19.17309 -19.13714 -14.35578 -10.31912
 Alpha  occ. eigenvalues --  -10.25181 -10.24769  -1.11168  -1.05108  -1.03118
 Alpha  occ. eigenvalues --   -0.92687  -0.76613  -0.66529  -0.60595  -0.57152
 Alpha  occ. eigenvalues --   -0.53244  -0.50286  -0.48998  -0.47070  -0.45274
 Alpha  occ. eigenvalues --   -0.44205  -0.40213  -0.38557  -0.36875  -0.32431
 Alpha  occ. eigenvalues --   -0.31011  -0.30260  -0.27212
 Alpha virt. eigenvalues --   -0.02935  -0.01288  -0.00240   0.00537   0.01178
 Alpha virt. eigenvalues --    0.02907   0.03671   0.03834   0.05970   0.06837
 Alpha virt. eigenvalues --    0.07208   0.07489   0.08282   0.09427   0.09831
 Alpha virt. eigenvalues --    0.10494   0.10837   0.11341   0.12094   0.12386
 Alpha virt. eigenvalues --    0.13199   0.13959   0.14462   0.15222   0.16570
 Alpha virt. eigenvalues --    0.17111   0.18455   0.18954   0.20312   0.20940
 Alpha virt. eigenvalues --    0.21394   0.21991   0.22994   0.23520   0.23978
 Alpha virt. eigenvalues --    0.24720   0.25364   0.25582   0.26191   0.27945
 Alpha virt. eigenvalues --    0.28319   0.30426   0.30718   0.31253   0.31855
 Alpha virt. eigenvalues --    0.33245   0.33617   0.35160   0.35780   0.36459
 Alpha virt. eigenvalues --    0.37876   0.38213   0.38829   0.40040   0.41108
 Alpha virt. eigenvalues --    0.42518   0.43520   0.44676   0.45210   0.46624
 Alpha virt. eigenvalues --    0.47453   0.48779   0.50370   0.50864   0.52247
 Alpha virt. eigenvalues --    0.52730   0.55087   0.55485   0.56960   0.57296
 Alpha virt. eigenvalues --    0.58693   0.59025   0.60693   0.61684   0.63300
 Alpha virt. eigenvalues --    0.64225   0.65672   0.66123   0.67353   0.69904
 Alpha virt. eigenvalues --    0.71978   0.72864   0.72981   0.75415   0.76241
 Alpha virt. eigenvalues --    0.78164   0.78706   0.80381   0.83187   0.84178
 Alpha virt. eigenvalues --    0.85373   0.86764   0.89496   0.90997   0.93158
 Alpha virt. eigenvalues --    0.94311   0.96498   0.98103   0.99562   1.01582
 Alpha virt. eigenvalues --    1.01955   1.04306   1.05772   1.07445   1.08279
 Alpha virt. eigenvalues --    1.09325   1.13052   1.13676   1.16380   1.18602
 Alpha virt. eigenvalues --    1.19003   1.23894   1.25703   1.27645   1.28912
 Alpha virt. eigenvalues --    1.31375   1.34059   1.36307   1.38633   1.40544
 Alpha virt. eigenvalues --    1.44473   1.48278   1.49560   1.52251   1.54795
 Alpha virt. eigenvalues --    1.56263   1.57469   1.59753   1.63078   1.63923
 Alpha virt. eigenvalues --    1.65488   1.71129   1.73397   1.75911   1.76929
 Alpha virt. eigenvalues --    1.79822   1.82657   1.83157   1.86357   1.87508
 Alpha virt. eigenvalues --    1.88279   1.90132   1.92409   1.95889   1.99581
 Alpha virt. eigenvalues --    2.01722   2.03729   2.08092   2.09362   2.10106
 Alpha virt. eigenvalues --    2.11518   2.15238   2.17988   2.18587   2.20746
 Alpha virt. eigenvalues --    2.21508   2.26000   2.26730   2.30179   2.35616
 Alpha virt. eigenvalues --    2.36264   2.39837   2.46081   2.47572   2.51093
 Alpha virt. eigenvalues --    2.54051   2.54709   2.60914   2.63937   2.66672
 Alpha virt. eigenvalues --    2.71708   2.73264   2.80047   2.83715   2.88326
 Alpha virt. eigenvalues --    2.97840   3.01937   3.14186   3.19166   3.27361
 Alpha virt. eigenvalues --    3.32324   3.35537   3.36421   3.38958   3.39807
 Alpha virt. eigenvalues --    3.39881   3.42768   3.43541   3.46526   3.48500
 Alpha virt. eigenvalues --    3.56066   3.59759   3.70491   3.79929   3.95755
 Alpha virt. eigenvalues --    3.96075
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    4.661178   0.430950  -0.237745  -0.021314   0.046956  -0.085327
     2  C    0.430950   6.250145  -0.870411   0.219646   0.067734   0.084005
     3  C   -0.237745  -0.870411   6.556696  -0.236230  -0.023854  -0.020739
     4  O   -0.021314   0.219646  -0.236230   8.343890  -0.001764  -0.072165
     5  O    0.046956   0.067734  -0.023854  -0.001764   8.239920  -0.040562
     6  N   -0.085327   0.084005  -0.020739  -0.072165  -0.040562   6.642886
     7  O    0.008165   0.023273   0.225665  -0.080665   0.000025  -0.010538
     8  H   -0.069678  -0.160817  -0.111908   0.021167  -0.027932  -0.031191
     9  H    0.107504  -0.242612   0.045731  -0.006692  -0.089243  -0.071880
    10  H   -0.203454   0.113868  -0.053056   0.006063  -0.038112   0.011539
    11  H    0.006826  -0.138093  -0.013916   0.238115  -0.002082   0.072206
    12  H   -0.104363  -0.118483   0.049056  -0.002028  -0.003202   0.403666
    13  H    0.013624   0.060601  -0.026545   0.004927  -0.001422   0.280791
    14  H   -0.030653   0.032884  -0.000365  -0.000168   0.337571   0.005975
               7          8          9         10         11         12
     1  C    0.008165  -0.069678   0.107504  -0.203454   0.006826  -0.104363
     2  C    0.023273  -0.160817  -0.242612   0.113868  -0.138093  -0.118483
     3  C    0.225665  -0.111908   0.045731  -0.053056  -0.013916   0.049056
     4  O   -0.080665   0.021167  -0.006692   0.006063   0.238115  -0.002028
     5  O    0.000025  -0.027932  -0.089243  -0.038112  -0.002082  -0.003202
     6  N   -0.010538  -0.031191  -0.071880   0.011539   0.072206   0.403666
     7  O    8.334372   0.017598   0.011547  -0.010535   0.013550   0.001149
     8  H    0.017598   1.733357   0.104311  -0.082296  -0.008328   0.030881
     9  H    0.011547   0.104311   1.767355  -0.219350  -0.003230   0.017122
    10  H   -0.010535  -0.082296  -0.219350   1.939427   0.000585   0.008258
    11  H    0.013550  -0.008328  -0.003230   0.000585   0.659653  -0.004245
    12  H    0.001149   0.030881   0.017122   0.008258  -0.004245   0.897767
    13  H    0.001345  -0.097717  -0.010224  -0.001357   0.000643  -0.140576
    14  H   -0.000215  -0.002559  -0.038805  -0.061803   0.000268  -0.003611
              13         14
     1  C    0.013624  -0.030653
     2  C    0.060601   0.032884
     3  C   -0.026545  -0.000365
     4  O    0.004927  -0.000168
     5  O   -0.001422   0.337571
     6  N    0.280791   0.005975
     7  O    0.001345  -0.000215
     8  H   -0.097717  -0.002559
     9  H   -0.010224  -0.038805
    10  H   -0.001357  -0.061803
    11  H    0.000643   0.000268
    12  H   -0.140576  -0.003611
    13  H    0.917527   0.001387
    14  H    0.001387   0.669598
 Mulliken charges:
               1
     1  C    1.477330
     2  C    0.247310
     3  C    0.717621
     4  O   -0.412782
     5  O   -0.464032
     6  N   -0.168667
     7  O   -0.534734
     8  H   -0.314888
     9  H   -0.371533
    10  H   -0.409776
    11  H    0.178049
    12  H   -0.031390
    13  H   -0.003004
    14  H    0.090495
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.696022
     2  C   -0.067578
     3  C    0.717621
     4  O   -0.234733
     5  O   -0.373536
     6  N   -0.203062
     7  O   -0.534734
 Electronic spatial extent (au):  <R**2>=            825.5687
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              3.9627    Y=              1.9829    Z=              0.6071  Tot=              4.4725
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -46.7398   YY=            -42.6139   ZZ=            -39.6150
   XY=             -6.2911   XZ=              2.6604   YZ=             -0.1030
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -3.7503   YY=              0.3757   ZZ=              3.3746
   XY=             -6.2911   XZ=              2.6604   YZ=             -0.1030
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             32.2632  YYY=             11.9315  ZZZ=              0.7343  XYY=             14.0086
  XXY=             -5.2642  XXZ=              4.9971  XZZ=              0.2538  YZZ=              2.4644
  YYZ=              0.8485  XYZ=             -1.8613
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -612.1463 YYYY=           -295.0797 ZZZZ=            -64.7180 XXXY=            -50.3724
 XXXZ=             20.4095 YYYX=            -10.5722 YYYZ=              1.4307 ZZZX=              1.4214
 ZZZY=              2.3493 XXYY=           -145.2619 XXZZ=           -120.9317 YYZZ=            -56.3537
 XXYZ=             -5.3978 YYXZ=             -1.4756 ZZXY=              2.3485
 N-N= 3.225193370369D+02 E-N=-1.580539158537D+03  KE= 3.967185879902D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Aug 12 19:49:43 2021, MaxMem=  5368709120 cpu:               2.6 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 1.59951754D+00 7.94022650D-01 2.48180091D-01
 Polarizability= 6.09590844D+01-3.50372554D-01 5.94450683D+01
                -5.67215220D-01-3.40345930D-01 4.34226324D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 2      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 3      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 4      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 5     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 6     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.3503    0.3501       -0.1802   -0.1805
 2     -0.3503   -0.3501        0.1384    0.1385       -1.1391   -1.1393
 3      0.1802    0.1805        9.9037    9.9031       -0.1384   -0.1385
 4     -0.1384   -0.1385       -0.0000    0.0000        0.1808    0.1805
 5     -8.7646   -8.7638       -0.1808   -0.1805        0.3500    0.3501
 6      0.1384    0.1385       -0.3500   -0.3501        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -1.0503   -1.0503       -0.5414   -0.5414
 2     -0.4155   -0.4155       -0.0000    0.0000       -0.5414   -0.5414
 3     -0.4155   -0.4155       -1.0503   -1.0503        0.0000    0.0000
 4     -1.0503   -1.0503        0.4155    0.4155       -3.4179   -3.4179
 5      0.5414    0.5414       29.7092   29.7092       -0.4155   -0.4155
 6    -26.2913  -26.2913       -0.5414   -0.5414        1.0503    1.0503
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0083    0.0000       -1.4088   -1.4004        0.7869    0.7219
 2      1.3971    1.4004       -0.5300   -0.5540        4.6614    4.5571
 3     -0.7228   -0.7219      -39.6415  -39.6123        0.5511    0.5540
 4      0.5595    0.5540       -0.0105    0.0000       -0.7715   -0.7219
 5     35.0450   35.0551        0.7368    0.7219       -1.3926   -1.4004
 6     -0.5612   -0.5540        1.4051    1.4004       -0.0095    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0128    0.0000        5.1775    5.1528       -0.8257   -0.8465
 2     -5.2089   -5.1528       17.0851   17.0416        0.0274    0.0573
 3      0.8518    0.8465        6.3356    6.3983      -17.0578  -17.0416
 4    -17.0359  -17.0416       -0.0493    0.0000        0.8352    0.8465
 5     -6.3163   -6.4556       -0.8451   -0.8465        5.1864    5.1528
 6     17.0284   17.0416       -5.1654   -5.1528       -0.0115    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -9.9862   -9.9645        5.4540    5.4917        1.1654    1.1901
 2    -34.3187  -34.3024        6.8232    6.8656        1.1775    1.1901
 3    -34.3160  -34.3024        5.4335    5.4917        0.7330    0.7601
 4     -1.3993   -1.3739       24.3986   24.3380       -0.9518   -0.8867
 5     -0.4417   -0.4301       12.1027   12.1377      -24.4150  -24.3380
 6    -11.0320  -11.2510        0.4152    0.4301        1.5152    1.3739
 Full mass-weighted force constant matrix:
 Low frequencies ---   -3.1714   -0.0004    0.0003    0.0009    1.8975    3.7422
 Low frequencies ---   68.2486  116.9717  200.2556
 Diagonal vibrational polarizability:
       31.4846613      37.2093199      65.9170475
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     68.2485               116.9716               200.2556
 Red. masses --      4.4028                 3.3953                 4.3737
 Frc consts  --      0.0121                 0.0274                 0.1033
 IR Inten    --      1.4082                11.8872                23.7884
 RamAct Fr= 1--      0.4291                 0.1219                 0.6240
  Dep-P Fr= 1--      0.7364                 0.6964                 0.7102
  Dep-U Fr= 1--      0.8482                 0.8210                 0.8306
 Alpha2 Fr= 1--      0.0001                 0.0001                 0.0004
 Beta2  Fr= 1--      0.0607                 0.0167                 0.0864
 AlphaG Fr= 1--     -0.0011                -0.0002                 0.0016
 Gamma2 Fr= 1--      0.2314                 0.2486                 0.1420
 Delta2 Fr= 1--      0.1660                 0.1865                -0.0161
 Raman1 Fr= 1--       1.717                  0.488                  2.496
 ROA1   Fr= 1--      27.525                 29.832                 13.116
 CID1   Fr= 1--      16.035                 61.157                  5.255
 Raman2 Fr= 1--       0.728                  0.200                  1.037
 ROA2   Fr= 1--       4.225                  4.475                  3.536
 CID2   Fr= 1--       5.804                 22.345                  3.411
 Raman3 Fr= 1--       1.456                  0.400                  2.073
 ROA3   Fr= 1--      27.525                 29.832                 13.116
 CID3   Fr= 1--      18.905                 74.489                  6.326
 RC180  Fr= 1--       0.696                  0.642                  0.661
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.05   0.09    -0.01  -0.12  -0.21    -0.14  -0.01  -0.14
     2   6    -0.00  -0.02  -0.07    -0.02  -0.06  -0.12    -0.01   0.17  -0.12
     3   6    -0.00  -0.01  -0.02    -0.02   0.00   0.01     0.06   0.05  -0.02
     4   8     0.06  -0.02   0.31     0.03   0.04   0.04    -0.07  -0.09   0.05
     5   8    -0.00  -0.01   0.12    -0.01   0.19   0.20     0.01  -0.21   0.13
     6   7     0.00   0.02  -0.22     0.07  -0.08  -0.05    -0.06   0.14  -0.02
     7   8    -0.03  -0.01  -0.23    -0.05   0.01   0.10     0.25   0.01   0.09
     8   1     0.03  -0.17  -0.06    -0.11   0.00  -0.13    -0.04   0.24  -0.12
     9   1    -0.10   0.18   0.09    -0.21  -0.49  -0.23    -0.29  -0.15  -0.15
    10   1    -0.02   0.01   0.20     0.19  -0.03  -0.56    -0.28   0.07  -0.28
    11   1     0.09  -0.03   0.30     0.06   0.02  -0.01    -0.21  -0.01   0.01
    12   1     0.30   0.14  -0.31     0.06  -0.16  -0.04    -0.04   0.10  -0.02
    13   1    -0.22   0.05  -0.48     0.14  -0.13  -0.00    -0.10   0.22  -0.01
    14   1    -0.03   0.01   0.22     0.01   0.17   0.11    -0.18  -0.49  -0.01
                      4                      5                      6
                      A                      A                      A
 Frequencies --    244.2219               284.8145               321.5384
 Red. masses --      1.1023                 1.1525                 4.5292
 Frc consts  --      0.0387                 0.0551                 0.2759
 IR Inten    --    112.0380                22.5138                 3.2192
 RamAct Fr= 1--      1.4542                 0.6565                 0.2344
  Dep-P Fr= 1--      0.7369                 0.5903                 0.6325
  Dep-U Fr= 1--      0.8485                 0.7424                 0.7749
 Alpha2 Fr= 1--      0.0003                 0.0020                 0.0005
 Beta2  Fr= 1--      0.2057                 0.0812                 0.0303
 AlphaG Fr= 1--     -0.0025                 0.0039                -0.0023
 Gamma2 Fr= 1--     -0.1365                -0.0693                 0.0557
 Delta2 Fr= 1--      0.0110                -0.0008                 0.0009
 Raman1 Fr= 1--       5.817                  2.626                  0.938
 ROA1   Fr= 1--     -12.748                 -6.680                  5.377
 CID1   Fr= 1--      -2.192                 -2.544                  5.734
 Raman2 Fr= 1--       2.468                  0.975                  0.363
 ROA2   Fr= 1--      -3.363                 -1.657                  1.330
 CID2   Fr= 1--      -1.363                 -1.700                  3.661
 Raman3 Fr= 1--       4.936                  1.949                  0.727
 ROA3   Fr= 1--     -12.748                 -6.680                  5.377
 CID3   Fr= 1--      -2.583                 -3.427                  7.400
 RC180  Fr= 1--       0.697                  0.485                  0.550
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.01  -0.02     0.01  -0.01  -0.03    -0.11  -0.05   0.07
     2   6     0.00   0.01  -0.02    -0.00   0.01   0.02    -0.03   0.01   0.08
     3   6     0.01   0.01  -0.01    -0.01  -0.01   0.01     0.01   0.04   0.03
     4   8     0.00  -0.00   0.02    -0.00   0.00  -0.06    -0.15  -0.08  -0.02
     5   8    -0.01  -0.04  -0.05     0.02  -0.01  -0.00    -0.22   0.09  -0.05
     6   7    -0.00   0.00   0.01    -0.00   0.00   0.06     0.33   0.00  -0.02
     7   8     0.02   0.00   0.01    -0.01  -0.01   0.02     0.16   0.01  -0.05
     8   1     0.00   0.03  -0.02    -0.04   0.03   0.02    -0.04  -0.08   0.08
     9   1    -0.02   0.02  -0.02     0.01  -0.06  -0.03    -0.05  -0.04   0.08
    10   1    -0.03  -0.02   0.00    -0.01   0.01  -0.06    -0.08  -0.05   0.08
    11   1    -0.01   0.00  -0.01     0.08  -0.02   0.16    -0.32  -0.01   0.05
    12   1    -0.10  -0.03   0.04     0.65   0.02  -0.12     0.53   0.00  -0.07
    13   1     0.07  -0.01   0.09    -0.51   0.22  -0.41     0.40  -0.25  -0.16
    14   1     0.05   0.49   0.85     0.01   0.07   0.15    -0.09   0.21  -0.09
                      7                      8                      9
                      A                      A                      A
 Frequencies --    371.7136               428.1816               526.8821
 Red. masses --      4.4960                 2.8297                 5.8886
 Frc consts  --      0.3660                 0.3057                 0.9631
 IR Inten    --     11.1481                 9.8348                 0.7164
 RamAct Fr= 1--      3.1342                 0.4077                 3.0708
  Dep-P Fr= 1--      0.1445                 0.4684                 0.7317
  Dep-U Fr= 1--      0.2525                 0.6380                 0.8451
 Alpha2 Fr= 1--      0.0491                 0.0023                 0.0010
 Beta2  Fr= 1--      0.1319                 0.0434                 0.4325
 AlphaG Fr= 1--      0.0189                -0.0052                -0.0068
 Gamma2 Fr= 1--     -0.3003                -0.3526                 0.1150
 Delta2 Fr= 1--     -0.1633                -0.1838                 0.0761
 Raman1 Fr= 1--      12.537                  1.631                 12.283
 ROA1   Fr= 1--     -34.056                -39.735                 13.478
 CID1   Fr= 1--      -2.716                -24.364                  1.097
 Raman2 Fr= 1--       1.583                  0.520                  5.190
 ROA2   Fr= 1--      -5.902                 -6.993                  2.153
 CID2   Fr= 1--      -3.728                -13.442                  0.415
 Raman3 Fr= 1--       3.166                  1.041                 10.380
 ROA3   Fr= 1--     -34.056                -39.735                 13.478
 CID3   Fr= 1--     -10.757                -38.188                  1.298
 RC180  Fr= 1--      -0.495                  0.276                  0.690
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.17   0.03   0.07     0.00  -0.17   0.01     0.11  -0.12   0.07
     2   6    -0.00  -0.05  -0.14     0.00  -0.02   0.21    -0.01  -0.16  -0.07
     3   6     0.08  -0.02  -0.11     0.05   0.02   0.09    -0.04   0.21  -0.05
     4   8     0.26   0.09  -0.00     0.09   0.06  -0.03    -0.22   0.12   0.05
     5   8    -0.24   0.05  -0.03    -0.10   0.01  -0.02     0.07   0.01  -0.01
     6   7    -0.07  -0.10   0.10    -0.13   0.07  -0.09    -0.16  -0.27  -0.00
     7   8     0.12  -0.03   0.06     0.09   0.01  -0.07     0.25   0.18  -0.02
     8   1     0.16   0.02  -0.12    -0.01  -0.10   0.20     0.05  -0.24  -0.06
     9   1    -0.24   0.28   0.06     0.12  -0.56   0.02     0.12   0.04   0.07
    10   1    -0.14  -0.04   0.28    -0.05  -0.04  -0.35     0.26  -0.18   0.22
    11   1     0.47  -0.01   0.04     0.16   0.03  -0.11    -0.25   0.15   0.14
    12   1     0.07  -0.29   0.08    -0.27   0.40  -0.08    -0.01  -0.33  -0.04
    13   1    -0.22   0.10   0.10    -0.14   0.01  -0.16    -0.40   0.01  -0.05
    14   1    -0.18   0.03  -0.22     0.03   0.15  -0.03     0.14   0.07  -0.06
                     10                     11                     12
                      A                      A                      A
 Frequencies --    614.1270               737.6392               853.8998
 Red. masses --      3.5274                 6.8628                 1.5415
 Frc consts  --      0.7838                 2.2001                 0.6622
 IR Inten    --     20.9959                 9.5910                85.6708
 RamAct Fr= 1--      1.2473                 4.2356                 3.8891
  Dep-P Fr= 1--      0.2334                 0.0620                 0.1609
  Dep-U Fr= 1--      0.3785                 0.1167                 0.2772
 Alpha2 Fr= 1--      0.0155                 0.0813                 0.0585
 Beta2  Fr= 1--      0.0787                 0.0824                 0.1797
 AlphaG Fr= 1--      0.0139                 0.0193                -0.1211
 Gamma2 Fr= 1--      0.5563                -0.0951                -0.8435
 Delta2 Fr= 1--      0.2677                 0.0474                -0.5016
 Raman1 Fr= 1--       4.989                 16.942                 15.556
 ROA1   Fr= 1--      61.973                 -7.610                -97.033
 CID1   Fr= 1--      12.422                 -0.449                 -6.238
 Raman2 Fr= 1--       0.944                  0.988                  2.156
 ROA2   Fr= 1--      11.210                 -2.660                -16.232
 CID2   Fr= 1--      11.873                 -2.692                 -7.528
 Raman3 Fr= 1--       1.888                  1.977                  4.312
 ROA3   Fr= 1--      61.973                 -7.610                -97.033
 CID3   Fr= 1--      32.820                 -3.850                -22.501
 RC180  Fr= 1--      -0.243                 -0.767                 -0.446
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05   0.15  -0.10    -0.03   0.05  -0.07     0.04  -0.09   0.02
     2   6    -0.19  -0.03   0.04     0.10  -0.01  -0.07     0.02  -0.02  -0.09
     3   6    -0.06  -0.04   0.25     0.34   0.11   0.36    -0.01  -0.01   0.06
     4   8     0.03   0.13  -0.07     0.06  -0.25  -0.10    -0.03   0.02  -0.05
     5   8     0.08  -0.02   0.02    -0.08  -0.01   0.02    -0.02  -0.00   0.01
     6   7     0.01  -0.07  -0.01    -0.06  -0.13  -0.02    -0.03   0.12  -0.02
     7   8     0.12  -0.09  -0.10    -0.14   0.25  -0.08     0.00  -0.03  -0.00
     8   1    -0.63  -0.06  -0.02    -0.32  -0.11  -0.11    -0.06  -0.03  -0.09
     9   1    -0.09   0.28  -0.10    -0.18   0.23  -0.07    -0.01   0.05   0.02
    10   1    -0.02   0.10   0.05    -0.07  -0.00   0.10     0.10  -0.14   0.15
    11   1     0.28   0.02   0.00    -0.42  -0.00   0.10     0.16  -0.03   0.86
    12   1     0.03  -0.16  -0.00    -0.08  -0.22  -0.00     0.00  -0.14   0.01
    13   1     0.20  -0.28   0.04    -0.18   0.12   0.06     0.19   0.05   0.19
    14   1    -0.12  -0.18   0.16    -0.09  -0.02   0.01     0.11   0.11  -0.08
                     13                     14                     15
                      A                      A                      A
 Frequencies --    860.7673               888.2992               965.1051
 Red. masses --      2.0260                 1.6960                 1.4519
 Frc consts  --      0.8844                 0.7885                 0.7968
 IR Inten    --     20.3436                71.5909                56.8199
 RamAct Fr= 1--      6.7242                 1.8614                 0.5865
  Dep-P Fr= 1--      0.0528                 0.4587                 0.5522
  Dep-U Fr= 1--      0.1004                 0.6289                 0.7115
 Alpha2 Fr= 1--      0.1319                 0.0110                 0.0022
 Beta2  Fr= 1--      0.1125                 0.1951                 0.0695
 AlphaG Fr= 1--      0.1029                 0.0252                 0.0131
 Gamma2 Fr= 1--     -0.3626                 0.5262                 0.5891
 Delta2 Fr= 1--     -0.1667                 0.3034                 0.3888
 Raman1 Fr= 1--      26.897                  7.446                  2.346
 ROA1   Fr= 1--     -40.145                 60.225                 68.993
 CID1   Fr= 1--      -1.493                  8.089                 29.411
 Raman2 Fr= 1--       1.350                  2.341                  0.835
 ROA2   Fr= 1--      -7.369                 10.202                 11.027
 CID2   Fr= 1--      -5.459                  4.357                 13.214
 Raman3 Fr= 1--       2.700                  4.683                  1.669
 ROA3   Fr= 1--     -40.145                 60.225                 68.993
 CID3   Fr= 1--     -14.869                 12.861                 41.338
 RC180  Fr= 1--      -0.799                  0.258                  0.423
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04   0.07   0.01    -0.03   0.10  -0.01     0.01  -0.08  -0.06
     2   6    -0.12  -0.03   0.11     0.09   0.05   0.05    -0.09  -0.01   0.05
     3   6     0.04   0.04  -0.15    -0.02  -0.01  -0.00    -0.01   0.02  -0.07
     4   8     0.07  -0.07  -0.02    -0.04   0.02  -0.02     0.04  -0.04  -0.00
     5   8     0.05   0.00  -0.01    -0.02  -0.00  -0.01     0.01   0.01   0.02
     6   7    -0.06  -0.02  -0.02     0.07  -0.14  -0.05     0.06  -0.01   0.01
     7   8    -0.00   0.08   0.04     0.00  -0.02   0.01     0.00   0.03   0.02
     8   1    -0.04  -0.07   0.12     0.19  -0.01   0.06    -0.34   0.23   0.01
     9   1     0.08  -0.15   0.01     0.00  -0.12  -0.01    -0.06   0.37  -0.07
    10   1    -0.07   0.13  -0.18    -0.16   0.19  -0.23     0.16  -0.25   0.36
    11   1    -0.02  -0.01   0.59     0.16  -0.05   0.59     0.04  -0.03   0.14
    12   1     0.22  -0.12  -0.08    -0.45   0.21   0.05    -0.33   0.48   0.06
    13   1     0.30  -0.53  -0.03    -0.22   0.28  -0.01    -0.18   0.13  -0.14
    14   1    -0.08  -0.10   0.08    -0.11  -0.08   0.07     0.03   0.01  -0.02
                     16                     17                     18
                      A                      A                      A
 Frequencies --   1048.8272              1090.8141              1112.7915
 Red. masses --      4.0101                 2.2742                 2.1750
 Frc consts  --      2.5991                 1.5943                 1.5869
 IR Inten    --    108.1381                28.2020                42.6417
 RamAct Fr= 1--      4.7123                 1.9425                 2.6189
  Dep-P Fr= 1--      0.3867                 0.4734                 0.7392
  Dep-U Fr= 1--      0.5577                 0.6426                 0.8500
 Alpha2 Fr= 1--      0.0366                 0.0108                 0.0005
 Beta2  Fr= 1--      0.4380                 0.2080                 0.3710
 AlphaG Fr= 1--      0.0448                -0.0191                -0.0004
 Gamma2 Fr= 1--     -0.1560                 1.0308                 0.2110
 Delta2 Fr= 1--      0.3833                 0.5593                -0.8453
 Raman1 Fr= 1--      18.849                  7.770                 10.476
 ROA1   Fr= 1--      -2.707                116.854                 -6.793
 CID1   Fr= 1--      -0.144                 15.039                 -0.648
 Raman2 Fr= 1--       5.256                  2.497                  4.452
 ROA2   Fr= 1--      -6.810                 20.264                 11.827
 CID2   Fr= 1--      -1.296                  8.117                  2.656
 Raman3 Fr= 1--      10.512                  4.993                  8.905
 ROA3   Fr= 1--      -2.707                116.854                 -6.793
 CID3   Fr= 1--      -0.257                 23.403                 -0.763
 RC180  Fr= 1--       0.115                  0.285                  0.700
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.26  -0.13   0.20     0.19   0.08   0.07     0.05  -0.06   0.06
     2   6    -0.12   0.06  -0.09    -0.15   0.03  -0.05    -0.03   0.26  -0.01
     3   6    -0.06   0.04   0.06    -0.05   0.03  -0.03     0.03  -0.02   0.00
     4   8     0.07  -0.07  -0.02     0.05  -0.05  -0.00     0.01   0.02  -0.00
     5   8     0.23   0.09  -0.09    -0.10  -0.07   0.02    -0.01  -0.03   0.02
     6   7     0.07   0.00  -0.01     0.07   0.01  -0.01    -0.03  -0.13  -0.04
     7   8     0.00   0.03  -0.01     0.01   0.03   0.00    -0.02  -0.04   0.00
     8   1    -0.03  -0.25  -0.06    -0.40  -0.23  -0.07    -0.18   0.51  -0.04
     9   1    -0.12  -0.41   0.19     0.24  -0.36   0.09    -0.00  -0.03   0.06
    10   1    -0.22  -0.01  -0.13     0.27   0.17  -0.25    -0.19  -0.01   0.03
    11   1     0.11  -0.08  -0.05     0.06  -0.05  -0.07    -0.03   0.03   0.02
    12   1    -0.19  -0.18   0.06    -0.14  -0.26   0.05     0.08  -0.12  -0.08
    13   1    -0.18   0.47   0.12    -0.14   0.43   0.12     0.05  -0.33  -0.10
    14   1     0.20   0.07  -0.04     0.00   0.04  -0.02     0.45   0.37  -0.26
                     19                     20                     21
                      A                      A                      A
 Frequencies --   1188.4043              1214.3847              1238.3080
 Red. masses --      1.3754                 2.3294                 1.2882
 Frc consts  --      1.1444                 2.0240                 1.1638
 IR Inten    --      3.4605                13.8222                26.8324
 RamAct Fr= 1--      4.2128                 5.9027                 3.3394
  Dep-P Fr= 1--      0.6022                 0.3220                 0.6312
  Dep-U Fr= 1--      0.7517                 0.4872                 0.7739
 Alpha2 Fr= 1--      0.0115                 0.0566                 0.0072
 Beta2  Fr= 1--      0.5278                 0.4793                 0.4307
 AlphaG Fr= 1--     -0.0197                 0.0264                -0.0094
 Gamma2 Fr= 1--      1.6720                -0.7745                -0.2811
 Delta2 Fr= 1--      0.1754                -0.2264                -0.4450
 Raman1 Fr= 1--      16.851                 23.611                 13.357
 ROA1   Fr= 1--     166.129                -81.598                -41.224
 CID1   Fr= 1--       9.859                 -3.456                 -3.086
 Raman2 Fr= 1--       6.333                  5.751                  5.169
 ROA2   Fr= 1--      38.726                -16.777                 -3.187
 CID2   Fr= 1--       6.115                 -2.917                 -0.617
 Raman3 Fr= 1--      12.667                 11.503                 10.338
 ROA3   Fr= 1--     166.129                -81.598                -41.224
 CID3   Fr= 1--      13.115                 -7.094                 -3.988
 RC180  Fr= 1--       0.503                 -0.026                  0.548
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.04   0.10    -0.03  -0.01   0.03    -0.01   0.07   0.00
     2   6    -0.04  -0.04  -0.09    -0.02   0.01   0.04     0.05  -0.11   0.01
     3   6     0.05  -0.02   0.04     0.25  -0.09  -0.10    -0.02   0.01  -0.03
     4   8    -0.01   0.02  -0.01    -0.06   0.12   0.02    -0.01  -0.01   0.01
     5   8     0.00  -0.02  -0.04     0.02   0.02  -0.02     0.01  -0.04   0.01
     6   7     0.00  -0.00   0.05     0.01   0.01  -0.01     0.01   0.03   0.03
     7   8    -0.00  -0.00  -0.01    -0.04  -0.08   0.01     0.01   0.02   0.00
     8   1     0.10   0.33  -0.09    -0.55  -0.28  -0.02    -0.31  -0.13  -0.03
     9   1    -0.36  -0.27   0.07    -0.09  -0.06   0.02    -0.46   0.00  -0.04
    10   1     0.50   0.07  -0.19     0.04  -0.01  -0.01    -0.30   0.16  -0.14
    11   1    -0.07   0.05   0.05    -0.51   0.32   0.10     0.07  -0.04  -0.03
    12   1    -0.07   0.45   0.02    -0.05  -0.16   0.02    -0.02   0.14   0.02
    13   1     0.01  -0.28  -0.19    -0.11   0.26   0.06     0.01  -0.01  -0.01
    14   1    -0.07  -0.07   0.04    -0.06  -0.06   0.04     0.50   0.40  -0.27
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1272.6215              1316.5925              1403.1630
 Red. masses --      1.4807                 1.2357                 1.2749
 Frc consts  --      1.4129                 1.2620                 1.4789
 IR Inten    --      2.5531                12.5220                21.7728
 RamAct Fr= 1--      3.7268                 4.3873                 4.8431
  Dep-P Fr= 1--      0.3918                 0.6927                 0.6278
  Dep-U Fr= 1--      0.5630                 0.8184                 0.7713
 Alpha2 Fr= 1--      0.0284                 0.0044                 0.0108
 Beta2  Fr= 1--      0.3497                 0.5985                 0.6226
 AlphaG Fr= 1--      0.0281                -0.0104                 0.0113
 Gamma2 Fr= 1--     -0.0345                -0.4412                 1.3264
 Delta2 Fr= 1--     -1.2244                 0.2455                -0.5174
 Raman1 Fr= 1--      14.907                 17.549                 19.373
 ROA1   Fr= 1--     -42.493                -34.502                110.776
 CID1   Fr= 1--      -2.851                 -1.966                  5.718
 Raman2 Fr= 1--       4.196                  7.181                  7.471
 ROA2   Fr= 1--       8.968                -12.554                 35.972
 CID2   Fr= 1--       2.137                 -1.748                  4.815
 Raman3 Fr= 1--       8.393                 14.363                 14.943
 ROA3   Fr= 1--     -42.493                -34.502                110.776
 CID3   Fr= 1--      -5.063                 -2.402                  7.413
 RC180  Fr= 1--       0.126                  0.637                  0.543
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.01  -0.03    -0.01   0.02  -0.06     0.02   0.01   0.01
     2   6    -0.14  -0.05  -0.08    -0.08   0.04   0.07    -0.03  -0.12   0.04
     3   6     0.07  -0.02   0.03     0.01  -0.00   0.02    -0.01   0.01   0.01
     4   8    -0.00   0.03  -0.01     0.02   0.00  -0.01     0.03   0.00  -0.00
     5   8    -0.00  -0.01   0.04     0.00  -0.04   0.00     0.00   0.01  -0.00
     6   7     0.03   0.01   0.05     0.01  -0.00  -0.03     0.02   0.02  -0.06
     7   8    -0.01  -0.01  -0.01    -0.00  -0.01  -0.00     0.00  -0.01  -0.00
     8   1     0.45  -0.14  -0.02     0.57  -0.23   0.16     0.10   0.79   0.03
     9   1     0.49   0.03   0.00    -0.44   0.14  -0.09    -0.07  -0.06   0.01
    10   1    -0.49   0.07  -0.02     0.40  -0.06   0.03    -0.22   0.04   0.01
    11   1    -0.19   0.12   0.06    -0.14   0.08   0.03    -0.26   0.15   0.03
    12   1    -0.12   0.27   0.05    -0.01  -0.21  -0.00     0.03  -0.27  -0.04
    13   1    -0.06  -0.08  -0.13    -0.04   0.15   0.06    -0.03   0.30   0.13
    14   1     0.20   0.17  -0.09     0.23   0.17  -0.12    -0.02  -0.01   0.01
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1414.9043              1444.8754              1519.8430
 Red. masses --      1.6567                 1.4536                 1.0842
 Frc consts  --      1.9541                 1.7880                 1.4756
 IR Inten    --    394.6915                 2.0591                 2.7722
 RamAct Fr= 1--      4.1217                 0.3694                 4.6653
  Dep-P Fr= 1--      0.1423                 0.5023                 0.7377
  Dep-U Fr= 1--      0.2491                 0.6687                 0.8490
 Alpha2 Fr= 1--      0.0650                 0.0018                 0.0010
 Beta2  Fr= 1--      0.1711                 0.0412                 0.6602
 AlphaG Fr= 1--     -0.0380                 0.0062                -0.0036
 Gamma2 Fr= 1--      0.0361                 0.3797                 0.1701
 Delta2 Fr= 1--      0.2131                 0.1122                -0.1100
 Raman1 Fr= 1--      16.487                  1.478                 18.661
 ROA1   Fr= 1--      10.281                 40.044                 12.812
 CID1   Fr= 1--       0.624                 27.102                  0.687
 Raman2 Fr= 1--       2.054                  0.494                  7.922
 ROA2   Fr= 1--      -0.839                  8.215                  4.962
 CID2   Fr= 1--      -0.408                 16.630                  0.626
 Raman3 Fr= 1--       4.108                  0.988                 15.844
 ROA3   Fr= 1--      10.281                 40.044                 12.812
 CID3   Fr= 1--       2.503                 40.530                  0.809
 RC180  Fr= 1--      -0.502                  0.337                  0.698
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.16   0.07  -0.03     0.02   0.06  -0.05
     2   6    -0.07  -0.03   0.03     0.05  -0.04   0.01     0.00   0.01  -0.00
     3   6     0.15  -0.06  -0.02    -0.00  -0.01  -0.00    -0.00  -0.00   0.00
     4   8    -0.12   0.01   0.02    -0.00   0.00   0.00     0.00  -0.00   0.00
     5   8     0.01  -0.00   0.00    -0.00  -0.05   0.03     0.00   0.01  -0.00
     6   7     0.02   0.02  -0.02    -0.00   0.00  -0.01     0.00  -0.00   0.01
     7   8    -0.01   0.06   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     8   1     0.12   0.22   0.04    -0.10   0.17  -0.01     0.02  -0.06  -0.00
     9   1    -0.00  -0.02  -0.00     0.63  -0.13   0.03    -0.13  -0.67  -0.03
    10   1    -0.01  -0.00   0.02     0.56  -0.05   0.06    -0.13  -0.19   0.68
    11   1     0.79  -0.44  -0.15    -0.04   0.02   0.00    -0.00   0.00   0.00
    12   1    -0.01  -0.19  -0.00     0.02  -0.02  -0.01    -0.02   0.01   0.01
    13   1    -0.00   0.09   0.02    -0.00   0.06   0.04    -0.00  -0.04  -0.03
    14   1     0.03   0.02  -0.01     0.31   0.24  -0.16    -0.01  -0.00   0.00
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1667.0515              1836.6731              2980.2718
 Red. masses --      1.0902                 9.7208                 1.0693
 Frc consts  --      1.7850                19.3203                 5.5959
 IR Inten    --     36.7159               312.4880                44.1429
 RamAct Fr= 1--      3.5304                13.9939               138.2302
  Dep-P Fr= 1--      0.6438                 0.3250                 0.1237
  Dep-U Fr= 1--      0.7833                 0.4906                 0.2201
 Alpha2 Fr= 1--      0.0068                 0.1330                 2.2830
 Beta2  Fr= 1--      0.4609                 1.1441                 5.0708
 AlphaG Fr= 1--      0.0016                 0.1264                -0.2742
 Gamma2 Fr= 1--      0.0249                 0.5237                 2.5709
 Delta2 Fr= 1--     -0.1746                 0.1545                 2.8583
 Raman1 Fr= 1--      14.122                 55.976                552.921
 ROA1   Fr= 1--      -3.200                 55.218                338.271
 CID1   Fr= 1--      -0.227                  0.986                  0.612
 Raman2 Fr= 1--       5.531                 13.730                 60.849
 ROA2   Fr= 1--       1.993                 11.333                 38.835
 CID2   Fr= 1--       0.360                  0.825                  0.638
 Raman3 Fr= 1--      11.062                 27.459                121.699
 ROA3   Fr= 1--      -3.200                 55.218                338.271
 CID3   Fr= 1--      -0.289                  2.011                  2.780
 RC180  Fr= 1--       0.567                 -0.019                 -0.560
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.00  -0.00    -0.01   0.02  -0.01     0.00   0.01  -0.07
     2   6    -0.03   0.01  -0.01    -0.02  -0.04   0.01    -0.00  -0.00   0.01
     3   6     0.01  -0.01  -0.00     0.18   0.70  -0.02     0.00   0.00  -0.00
     4   8    -0.00   0.00   0.00    -0.04  -0.06   0.01    -0.00  -0.00   0.00
     5   8     0.00  -0.00   0.00     0.00  -0.01   0.00     0.00   0.00  -0.00
     6   7    -0.03  -0.06  -0.02    -0.00  -0.01   0.00    -0.00  -0.00  -0.00
     7   8    -0.00   0.00   0.00    -0.11  -0.43   0.01    -0.00  -0.00   0.00
     8   1     0.02  -0.04  -0.00    -0.00   0.02   0.00     0.02  -0.01  -0.12
     9   1    -0.00  -0.02  -0.00     0.04  -0.02  -0.02    -0.07   0.02   0.96
    10   1    -0.01  -0.00   0.02     0.06   0.02   0.01    -0.03  -0.19  -0.09
    11   1     0.02  -0.02  -0.02     0.47  -0.20  -0.09     0.00  -0.00  -0.00
    12   1     0.43   0.53  -0.17    -0.00   0.01   0.00     0.00   0.01   0.00
    13   1     0.22   0.31   0.59     0.02  -0.03   0.01     0.00  -0.00   0.00
    14   1     0.00   0.00  -0.00     0.03   0.02  -0.01     0.01   0.00  -0.00
                     31                     32                     33
                      A                      A                      A
 Frequencies --   3045.3174              3076.2338              3447.4961
 Red. masses --      1.0819                 1.0941                 1.0641
 Frc consts  --      5.9115                 6.1003                 7.4515
 IR Inten    --      6.6796                19.6530               254.2070
 RamAct Fr= 1--     66.6432                76.8562                86.9808
  Dep-P Fr= 1--      0.2914                 0.2468                 0.0820
  Dep-U Fr= 1--      0.4513                 0.3958                 0.1516
 Alpha2 Fr= 1--      0.7011                 0.9192                 1.5910
 Beta2  Fr= 1--      5.0132                 5.0705                 2.1980
 AlphaG Fr= 1--     -0.0927                -0.6498                 0.0878
 Gamma2 Fr= 1--      1.4233                -5.3853                 1.3352
 Delta2 Fr= 1--      2.2385                -4.5465                 2.0123
 Raman1 Fr= 1--     266.573                307.425                347.923
 ROA1   Fr= 1--     208.263               -662.474                192.575
 CID1   Fr= 1--       0.781                 -2.155                  0.553
 Raman2 Fr= 1--      60.158                 60.846                 26.375
 ROA2   Fr= 1--      16.250                -92.875                 15.948
 CID2   Fr= 1--       0.270                 -1.526                  0.605
 Raman3 Fr= 1--     120.316                121.692                 52.751
 ROA3   Fr= 1--     208.263               -662.474                192.575
 CID3   Fr= 1--       1.731                 -5.444                  3.651
 RC180  Fr= 1--      -0.097                 -0.208                 -0.697
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.02  -0.00    -0.01  -0.07  -0.04     0.00  -0.00   0.00
     2   6     0.01  -0.00  -0.08     0.00  -0.00  -0.02    -0.00   0.00   0.00
     3   6     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.01  -0.00
     4   8    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.03  -0.05   0.00
     5   8     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
     6   7    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.01  -0.00  -0.00
     7   8     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
     8   1    -0.12   0.03   0.96    -0.02   0.00   0.18    -0.00  -0.00  -0.00
     9   1    -0.00   0.00   0.08    -0.01  -0.01   0.21     0.00   0.00  -0.00
    10   1    -0.03  -0.19  -0.07     0.11   0.90   0.31     0.00  -0.00  -0.00
    11   1     0.00   0.00  -0.00     0.00   0.01  -0.00     0.42   0.89  -0.04
    12   1    -0.00   0.00  -0.02    -0.00   0.00  -0.00     0.03   0.01   0.11
    13   1     0.01  -0.00  -0.00     0.00  -0.00  -0.00     0.07   0.04  -0.05
    14   1    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
                     34                     35                     36
                      A                      A                      A
 Frequencies --   3489.5718              3575.2885              3819.9422
 Red. masses --      1.0535                 1.0893                 1.0666
 Frc consts  --      7.5587                 8.2039                 9.1698
 IR Inten    --      0.6421                11.0645                41.5137
 RamAct Fr= 1--     91.0885                66.7349               143.2514
  Dep-P Fr= 1--      0.0920                 0.4912                 0.2285
  Dep-U Fr= 1--      0.1685                 0.6588                 0.3720
 Alpha2 Fr= 1--      1.6263                 0.3432                 1.8018
 Beta2  Fr= 1--      2.5579                 7.3274                 8.8817
 AlphaG Fr= 1--     -0.1971                 0.1358                -0.0560
 Gamma2 Fr= 1--     -2.7390                 2.2349                -1.2801
 Delta2 Fr= 1--     -0.9097                -0.8892                 0.2893
 Raman1 Fr= 1--     364.354                266.940                573.006
 ROA1   Fr= 1--    -292.050                186.094               -113.633
 CID1   Fr= 1--      -0.802                  0.697                 -0.198
 Raman2 Fr= 1--      30.695                 87.929                106.581
 ROA2   Fr= 1--     -58.458                 60.751                -33.038
 CID2   Fr= 1--      -1.904                  0.691                 -0.310
 Raman3 Fr= 1--      61.390                175.858                213.161
 ROA3   Fr= 1--    -292.050                186.094               -113.633
 CID3   Fr= 1--      -4.757                  1.058                 -0.533
 RC180  Fr= 1--      -0.663                  0.318                 -0.256
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     2   6    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
     3   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
     4   8     0.00   0.01  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     5   8     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.05   0.04  -0.02
     6   7    -0.03  -0.02  -0.04    -0.03  -0.03   0.06     0.00  -0.00   0.00
     7   8     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     8   1    -0.00   0.00   0.01     0.00  -0.00  -0.01     0.00  -0.00   0.00
     9   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    10   1    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    11   1    -0.06  -0.12   0.00    -0.01  -0.03   0.00    -0.00  -0.00   0.00
    12   1     0.20   0.07   0.86    -0.13  -0.04  -0.42    -0.00   0.00  -0.00
    13   1     0.29   0.22  -0.26     0.62   0.43  -0.48     0.00   0.00  -0.00
    14   1     0.00   0.00   0.00    -0.00   0.00  -0.00     0.73  -0.61   0.31

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  8 and mass  15.99491
 Atom     5 has atomic number  8 and mass  15.99491
 Atom     6 has atomic number  7 and mass  14.00307
 Atom     7 has atomic number  8 and mass  15.99491
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Molecular mass:   105.04259 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   388.76435 972.127941302.98985
           X            0.99962  -0.02684   0.00649
           Y            0.02687   0.99963  -0.00380
           Z           -0.00639   0.00397   0.99997
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Rotational temperatures (Kelvin)      0.22279     0.08910     0.06647
 Rotational constants (GHZ):           4.64225     1.85649     1.38508
 Zero-point vibrational energy     297188.5 (Joules/Mol)
                                   71.02976 (Kcal/Mol)
 Warning -- explicit consideration of  10 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     98.19   168.30   288.12   351.38   409.78
          (Kelvin)            462.62   534.81   616.06   758.07   883.59
                             1061.30  1228.57  1238.45  1278.06  1388.57
                             1509.03  1569.44  1601.06  1709.85  1747.23
                             1781.65  1831.02  1894.28  2018.84  2035.73
                             2078.85  2186.72  2398.52  2642.56  4287.95
                             4381.53  4426.01  4960.18  5020.72  5144.04
                             5496.04
 
 Zero-point correction=                           0.113193 (Hartree/Particle)
 Thermal correction to Energy=                    0.120895
 Thermal correction to Enthalpy=                  0.121839
 Thermal correction to Gibbs Free Energy=         0.081041
 Sum of electronic and zero-point Energies=           -399.039687
 Sum of electronic and thermal Energies=              -399.031985
 Sum of electronic and thermal Enthalpies=            -399.031040
 Sum of electronic and thermal Free Energies=         -399.071838
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                   75.863             26.963             85.867
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             39.865
 Rotational               0.889              2.981             27.690
 Vibrational             74.085             21.001             18.313
 Vibration     1          0.598              1.969              4.203
 Vibration     2          0.608              1.935              3.150
 Vibration     3          0.638              1.840              2.131
 Vibration     4          0.660              1.772              1.772
 Vibration     5          0.683              1.702              1.505
 Vibration     6          0.707              1.632              1.302
 Vibration     7          0.743              1.530              1.073
 Vibration     8          0.790              1.409              0.865
 Vibration     9          0.882              1.190              0.594
 Vibration    10          0.974              1.002              0.426
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.529199D-37        -37.276381        -85.832039
 Total V=0       0.614892D+15         14.788799         34.052468
 Vib (Bot)       0.497847D-50        -50.302904       -115.826717
 Vib (Bot)    1  0.302264D+01          0.480387          1.106132
 Vib (Bot)    2  0.174828D+01          0.242610          0.558631
 Vib (Bot)    3  0.995605D+00         -0.001913         -0.004404
 Vib (Bot)    4  0.801323D+00         -0.096193         -0.221492
 Vib (Bot)    5  0.673315D+00         -0.171782         -0.395542
 Vib (Bot)    6  0.584095D+00         -0.233516         -0.537691
 Vib (Bot)    7  0.489209D+00         -0.310506         -0.714966
 Vib (Bot)    8  0.407503D+00         -0.389869         -0.897706
 Vib (Bot)    9  0.304419D+00         -0.516529         -1.189352
 Vib (Bot)   10  0.239602D+00         -0.620510         -1.428776
 Vib (V=0)       0.578464D+02          1.762276          4.057791
 Vib (V=0)    1  0.356372D+01          0.551904          1.270805
 Vib (V=0)    2  0.231837D+01          0.365183          0.840865
 Vib (V=0)    3  0.161411D+01          0.207932          0.478781
 Vib (V=0)    4  0.144452D+01          0.159724          0.367777
 Vib (V=0)    5  0.133866D+01          0.126671          0.291670
 Vib (V=0)    6  0.126887D+01          0.103419          0.238130
 Vib (V=0)    7  0.119952D+01          0.079007          0.181920
 Vib (V=0)    8  0.114503D+01          0.058815          0.135428
 Vib (V=0)    9  0.108538D+01          0.035582          0.081931
 Vib (V=0)   10  0.105444D+01          0.023024          0.053014
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.423157D+08          7.626502         17.560670
 Rotational      0.251201D+06          5.400021         12.434008
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3        3 3 3           33 2                                     1     1    1 111  11111 11 1                                  
     8        5 4 4           00 9                                     8     6    5 444  32221 10 0 9 888   7   6  5  4 3 322 2  1   
     2        7 9 4           74 8                                     3     6    2 410  17318 19 4 6 865   3   1  2  2 7 284 0  16  
     0        5 0 7           65 0                                     7     7    0 553  73848 31 9 5 814   8   4  7  8 2 254 0  78  
 
     X        X X X           XX X                                     X     X    X XXX  XXXXX XX X X XXX   X   X  X  X X XXX X  XX  
     X            X              X                                     X     X       X         X  X X X X                   X        
                  X                                                    X             X            X X X X                   X        
                  X                                                    X             X            X   X X                   X        
                  X                                                    X             X            X                         X        
                  X                                                    X             X                                      X        
                  X                                                    X             X                                               
                  X                                                    X             X                                               
                  X                                                    X             X                                               
                  X                                                    X             X                                               
                  X                                                    X             X                                               
                  X                                                    X             X                                               
                  X                                                    X             X                                               
                                                                       X             X                                               
                                                                       X             X                                               
                                                                       X             X                                               
                                                                                     X                                               
                                                                                     X                                               
                                                                                     X                                               
                                                                                     X                                               
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000020648    0.000002176    0.000006413
      2        6          -0.000017274    0.000010208   -0.000002417
      3        6           0.000024474    0.000008749   -0.000000153
      4        8           0.000004918    0.000014862   -0.000000745
      5        8          -0.000019927   -0.000006786   -0.000004611
      6        7          -0.000002180   -0.000005458   -0.000009011
      7        8          -0.000005130   -0.000011841    0.000001402
      8        1          -0.000000218    0.000000379    0.000000097
      9        1          -0.000000365   -0.000001680    0.000000984
     10        1           0.000000872    0.000000190   -0.000001714
     11        1          -0.000010690   -0.000012380    0.000001031
     12        1           0.000002003    0.000000976    0.000002479
     13        1           0.000003500   -0.000000120    0.000001222
     14        1          -0.000000632    0.000000725    0.000005021
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000024474 RMS     0.000008278
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.686985D+02 -0.360941D+00 -0.700186D+00
      2  -0.360941D+00  0.664200D+02 -0.276979D+00
      3  -0.700186D+00 -0.276979D+00  0.488924D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.886243D+00 -0.173926D+01 -0.156748D+01
      2   0.258576D+01 -0.914884D+00  0.116229D+02
      3   0.672032D+01  0.541868D+01  0.231290D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.318128D+02 -0.539232D+01 -0.157534D+01
      2  -0.208886D+02  0.391903D+01 -0.233539D+01
      3  -0.109242D+02  0.147330D+01  0.391073D+01
      4   0.115305D+01 -0.803961D+01 -0.356344D+01
      5   0.375658D+01 -0.573417D+01  0.262628D+02
      6  -0.183604D+01  0.256643D+01  0.664481D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    42 ND12= 1 LenFil=    1515:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.983860D+00 -0.214955D+01  0.985395D+00 -0.302477D+01  0.116502D+01
      2  -0.214955D+01  0.273030D+01 -0.416889D+00  0.116502D+01  0.464697D+01
      3   0.985395D+00 -0.416889D+00  0.156658D+01  0.327056D-01  0.172010D+01
                 6             7             8             9            10 
      1   0.327056D-01  0.180603D+01 -0.259297D+00  0.136086D+01  0.163986D+01
      2   0.172010D+01 -0.259297D+00  0.227447D+01  0.102373D+01  0.326838D+01
      3   0.479286D+00  0.136086D+01  0.102373D+01 -0.859660D+01 -0.611628D+00
                11            12            13            14            15 
      1   0.326838D+01 -0.611628D+00  0.218453D+01 -0.657020D-01 -0.363213D-01
      2  -0.247018D+01  0.628014D+00 -0.657020D-01 -0.393444D+01 -0.881093D+00
      3   0.628014D+00 -0.608576D+00 -0.363213D-01 -0.881093D+00  0.477907D+00
                16            17            18            19            20 
      1  -0.542996D+00  0.120513D+01 -0.619810D+00 -0.261749D+01 -0.224446D+01
      2   0.120513D+01 -0.158734D+01 -0.885295D-01 -0.224446D+01  0.179224D+01
      3  -0.619810D+00 -0.885295D-01  0.765039D+01 -0.133349D+00  0.260327D-01
                21            22            23            24            25 
      1  -0.133349D+00 -0.601637D+00  0.313165D+01  0.131404D+00  0.114662D+00
      2   0.260327D-01  0.313165D+01  0.658301D+01 -0.953288D-01  0.241574D+00
      3  -0.479957D+00  0.131404D+00 -0.953288D-01  0.500207D+00 -0.230795D+00
                26            27            28            29            30 
      1   0.241574D+00 -0.230795D+00 -0.792861D+01  0.180796D+01  0.372117D+00
      2   0.448396D+00  0.270213D+00  0.180796D+01 -0.275710D+01 -0.249278D+00
      3   0.270213D+00 -0.462668D+00  0.372117D+00 -0.249278D+00 -0.926989D+00
                31            32            33            34            35 
      1  -0.203196D+01 -0.420681D+01 -0.968295D-01  0.995077D+00 -0.226607D+00
      2  -0.420681D+01 -0.109499D+01  0.169354D+00 -0.226607D+00  0.160460D+00
      3  -0.968295D-01  0.169354D+00  0.536697D+00 -0.179254D+01  0.122080D+01
                36            37            38            39            40 
      1  -0.179254D+01  0.679726D+00  0.300043D+01 -0.157357D+01  0.655147D+01
      2   0.122080D+01  0.300043D+01 -0.125898D+01  0.629289D+00 -0.991295D+00
      3   0.723706D+00 -0.157357D+01  0.629289D+00 -0.706897D+00  0.617387D+00
                41            42            43            44            45 
      1  -0.991295D+00  0.617387D+00 -0.389164D+01  0.796392D+00  0.763204D+00
      2   0.247967D+01 -0.104716D+01  0.796392D+00 -0.105003D+01  0.419602D+00
      3  -0.104716D+01  0.532678D+00  0.763204D+00  0.419602D+00 -0.618658D+00
                46            47            48            49            50 
      1  -0.247372D+01 -0.279821D+01  0.110205D+01 -0.145950D+01 -0.182843D+01
      2  -0.279821D+01 -0.135539D+01  0.758252D-01 -0.182843D+01  0.478540D+01
      3   0.110205D+01  0.758252D-01 -0.194885D+01  0.342303D+00  0.800956D+00
                51            52            53            54            55 
      1   0.342303D+00  0.150733D+01  0.340370D+00 -0.215930D+01 -0.200346D+01
      2   0.800956D+00  0.340370D+00  0.100177D+01 -0.866984D+00 -0.319914D+01
      3  -0.733179D+00 -0.215930D+01 -0.866984D+00 -0.460211D+01 -0.125628D-01
                56            57            58            59            60 
      1  -0.319914D+01 -0.125628D-01 -0.420007D+01 -0.301987D+01 -0.908169D-02
      2  -0.286624D+01 -0.201739D+00 -0.301987D+01 -0.131182D+02  0.551325D-01
      3  -0.201739D+00 -0.271187D+00 -0.908169D-02  0.551325D-01 -0.243526D+01
                61            62            63            64            65 
      1  -0.222653D+00 -0.995518D-02 -0.108497D+01  0.435289D+00 -0.498031D+00
      2  -0.995518D-02  0.134021D+00 -0.320201D+01 -0.498031D+00  0.519169D+00
      3  -0.108497D+01 -0.320201D+01  0.102051D+00 -0.104012D+01 -0.918046D-01
                66            67            68            69            70 
      1  -0.104012D+01 -0.857432D+00  0.380016D+00  0.828422D-01 -0.204731D+01
      2  -0.918046D-01  0.380016D+00  0.655712D+00 -0.104390D+01 -0.195619D+00
      3   0.105355D+01  0.828422D-01 -0.104390D+01 -0.304776D+00  0.695082D+00
                71            72            73            74            75 
      1  -0.195619D+00  0.695082D+00 -0.413303D+00  0.195629D+00  0.111596D+01
      2  -0.152498D+01  0.227296D+00  0.195629D+00 -0.299962D+00  0.126906D+00
      3   0.227296D+00 -0.885674D+01  0.111596D+01  0.126906D+00 -0.947922D+00
                76            77            78            79            80 
      1   0.620178D+00 -0.214868D+00 -0.762879D-02  0.209959D+01 -0.248946D+00
      2  -0.214868D+00 -0.833858D+00  0.102377D+01 -0.248946D+00  0.126868D+01
      3  -0.762879D-02  0.102377D+01  0.233184D+00 -0.441299D+00 -0.127096D+01
                81            82            83            84            85 
      1  -0.441299D+00 -0.865862D+00 -0.766407D+00 -0.569339D+00 -0.144206D+01
      2  -0.127096D+01 -0.766407D+00 -0.407294D+00  0.259763D-01 -0.208570D-01
      3   0.918462D+01 -0.569339D+00  0.259763D-01 -0.376382D-01 -0.852067D-01
                86            87            88            89            90 
      1  -0.208570D-01 -0.852067D-01 -0.119507D+01  0.906028D-01 -0.213413D+00
      2  -0.847072D+01 -0.119144D+01  0.906028D-01 -0.198837D+01 -0.144679D+01
      3  -0.119144D+01 -0.118381D+01 -0.213413D+00 -0.144679D+01 -0.854530D-02
                91            92            93            94            95 
      1   0.218600D+01  0.216219D+01 -0.152844D+00  0.520120D+01  0.173073D+00
      2   0.216219D+01  0.398652D+00  0.153231D+00  0.173073D+00  0.520446D+01
      3  -0.152844D+00  0.153231D+00 -0.409063D+00 -0.894232D-01  0.133507D+00
                96            97            98            99           100 
      1  -0.894232D-01 -0.336969D+00 -0.858969D-01 -0.663680D+00  0.154534D+00
      2   0.133507D+00 -0.858969D-01 -0.111882D+00  0.669661D+00  0.887058D+00
      3   0.900841D+00 -0.663680D+00  0.669661D+00  0.593894D-01  0.706767D+00
               101           102           103           104           105 
      1   0.887058D+00  0.706767D+00  0.666373D+00  0.283368D+00  0.478247D+00
      2   0.462145D+00  0.702721D+00  0.283368D+00  0.127481D+01  0.740124D+00
      3   0.702721D+00  0.106651D+01  0.478247D+00  0.740124D+00  0.749775D+00
               106           107           108           109           110 
      1   0.177676D+01  0.553526D+00  0.166977D+01  0.349292D+01  0.290012D+01
      2   0.553526D+00  0.255698D+01  0.208311D+01  0.290012D+01  0.356845D+01
      3   0.166977D+01  0.208311D+01  0.652471D+01 -0.114959D+01 -0.964544D+00
               111           112           113           114           115 
      1  -0.114959D+01  0.318392D+01  0.252225D+01 -0.822440D+00 -0.250156D+01
      2  -0.964544D+00  0.252225D+01  0.378792D+01 -0.929254D+00 -0.145732D+01
      3   0.140786D+01 -0.822440D+00 -0.929254D+00  0.105863D+01  0.136339D+01
               116           117           118           119           120 
      1  -0.145732D+01  0.136339D+01  0.869796D+01 -0.256596D+01  0.960711D+00
      2  -0.226411D+01  0.141815D+01 -0.256596D+01  0.194419D+01 -0.443740D+00
      3   0.141815D+01 -0.145133D+01  0.960711D+00 -0.443740D+00  0.124258D+01
               121           122           123           124           125 
      1  -0.479026D+01  0.269247D+01 -0.537958D+00  0.243875D+01 -0.743953D+00
      2   0.269247D+01 -0.196577D+01  0.545228D+00 -0.743953D+00  0.681943D+00
      3  -0.537958D+00  0.545228D+00 -0.812180D+00  0.135349D+01 -0.457284D+00
               126 
      1   0.135349D+01
      2  -0.457284D+00
      3   0.351779D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.126518D+01  0.395891D+00  0.253644D+01 -0.103599D+01  0.796668D+01
      2   0.253233D+01 -0.126244D+01 -0.228211D+00 -0.225964D-01  0.639927D+00
      3   0.331973D+01  0.153661D+01  0.428010D+00  0.694370D+01 -0.743721D+01
                 6             7             8             9            10 
      1  -0.105673D+01  0.185400D+01  0.296800D+01 -0.722522D+01 -0.124220D+01
      2  -0.856086D+00 -0.133892D+01  0.126407D+01 -0.631918D+01  0.170112D+01
      3  -0.222396D+01 -0.264799D+01 -0.304785D+01 -0.278646D+01  0.105732D+01
                11            12            13            14            15 
      1   0.867106D+00 -0.498225D+00  0.109808D+01  0.458644D+00 -0.305650D+00
      2  -0.902855D+00  0.304346D+01  0.234674D+01 -0.207596D+01  0.106252D+01
      3  -0.464810D+01  0.619546D+00 -0.149331D+01  0.110455D+01  0.687686D+00
                16            17            18            19            20 
      1  -0.111749D+01  0.475333D+01  0.657137D-01  0.843368D+00  0.791192D+00
      2  -0.314705D+01  0.321986D+00  0.130563D+01 -0.482264D+01  0.964584D-01
      3  -0.113155D+01  0.157677D+01  0.634696D+00 -0.709866D+01  0.854582D+00
                21            22            23            24            25 
      1   0.161370D+00  0.192296D+01  0.110259D-01  0.960045D+01 -0.492494D+00
      2  -0.579667D+01 -0.822648D+00  0.185090D+01 -0.188200D+01 -0.191634D+02
      3  -0.246935D+00 -0.390619D+00  0.104864D+02 -0.183891D+01  0.267298D+01
                26            27            28            29            30 
      1   0.101230D+02  0.343400D-01 -0.892242D+00 -0.615662D+00  0.297540D+01
      2  -0.125487D+01  0.331457D+01  0.443943D+00  0.341965D+00  0.799422D+01
      3  -0.241069D+01  0.989371D+00 -0.547278D+01 -0.159897D+02 -0.270353D-01
                31            32            33            34            35 
      1  -0.246860D+00 -0.638887D+00 -0.404191D+01  0.781715D+00  0.215176D+01
      2   0.100011D+01 -0.207839D+00 -0.968175D+00  0.547344D+01 -0.106521D+01
      3  -0.123559D+02 -0.111148D+02  0.835052D-01  0.843840D-02  0.196177D+01
                36            37            38            39            40 
      1  -0.530526D+00 -0.567584D+00 -0.729254D+00 -0.192847D+01  0.118607D+01
      2  -0.218242D+01 -0.722039D+01  0.206897D+01  0.445626D+01  0.243322D+01
      3   0.185248D+01 -0.138947D+02 -0.310336D+01 -0.113356D+01  0.529153D+01
                41            42            43            44            45 
      1  -0.758143D+00 -0.162562D+01  0.650632D-01  0.317922D+01 -0.208135D+00
      2  -0.231803D+01  0.420622D+01 -0.433488D+01  0.168718D+01 -0.377799D+01
      3  -0.999997D+01  0.193763D+01 -0.102039D+01  0.401113D+01 -0.186199D+01
                46            47            48            49            50 
      1  -0.280782D+01 -0.116800D+01  0.506399D+01 -0.231056D+01 -0.408894D+01
      2  -0.129031D+00  0.190525D+01  0.372048D+01  0.734597D+00  0.556580D+00
      3  -0.542889D+01 -0.132986D+02  0.189328D+01  0.133232D+01 -0.209674D+01
                51            52            53            54            55 
      1  -0.294410D+01  0.593208D+01  0.715171D+01  0.873426D+01  0.169240D+00
      2  -0.801002D+00 -0.342332D+01 -0.739901D+00  0.338498D+00  0.204647D+00
      3   0.888227D+00  0.399155D+01  0.118130D+01 -0.501777D+01  0.198149D+00
                56            57            58            59            60 
      1  -0.122950D-01 -0.302951D+01 -0.149855D+00  0.105156D+01 -0.112502D+02
      2   0.142914D+00  0.496264D+01 -0.118321D+01 -0.976049D+00  0.460651D+01
      3  -0.593579D+01 -0.198281D+00  0.105219D+02 -0.183982D+02  0.687301D+00
                61            62            63            64            65 
      1  -0.362820D+00  0.848433D+00  0.428807D+00  0.257363D+00 -0.849254D+00
      2   0.283393D+01  0.442043D+01 -0.122806D+01  0.768106D+00 -0.235255D+00
      3  -0.158030D+01  0.666281D+00 -0.462540D+01  0.305071D+00 -0.660229D+00
                66            67            68            69            70 
      1   0.739588D-01 -0.641260D+00 -0.728521D+00 -0.438532D+00  0.316841D+00
      2   0.824551D+00 -0.352033D+00  0.495383D+00 -0.552158D+00 -0.255220D+01
      3  -0.232081D+00  0.138075D+01 -0.327272D+00  0.207170D+00 -0.806372D-02
                71            72            73            74            75 
      1   0.297422D+01  0.110427D+01  0.111249D+01 -0.549610D+00 -0.439373D+00
      2  -0.120948D+00 -0.191519D+01  0.189639D+01  0.307794D+00 -0.390600D+00
      3   0.318759D+00  0.208007D+00  0.524625D+00 -0.854742D+00 -0.111100D+01
                76            77            78            79            80 
      1  -0.442878D+00  0.453298D+00 -0.442072D+00 -0.881939D+00  0.291944D+01
      2  -0.208903D+00  0.148067D+01 -0.776916D-02 -0.526988D+01 -0.113052D+01
      3   0.429156D+00  0.904728D+00 -0.925167D+00 -0.167804D+01 -0.943153D+00
                81            82            83            84            85 
      1   0.853094D+01 -0.112302D+01 -0.123334D-01 -0.380096D+00 -0.341147D+00
      2   0.946374D+01 -0.554716D+00  0.305621D+00  0.724536D+00 -0.371990D+00
      3   0.203621D+01  0.318932D+01  0.131239D+01  0.675381D+00  0.557869D+01
                86            87            88            89            90 
      1  -0.448007D+01 -0.440719D+01 -0.347799D+00 -0.151785D+01 -0.952350D+00
      2  -0.546613D+00 -0.773057D+00 -0.133155D+01 -0.112537D+01 -0.158966D+00
      3   0.986429D+01  0.179793D+01  0.210034D+01  0.226949D+01  0.185210D+01
                91            92            93            94            95 
      1   0.772237D+00  0.371059D+00  0.102423D+01  0.319862D+00  0.826671D+00
      2  -0.487130D+00 -0.684031D+00 -0.147591D+01 -0.436365D+00 -0.746790D+00
      3   0.854624D+01  0.103489D+02 -0.650132D-01  0.138162D+02  0.175481D+02
                96            97            98            99           100 
      1  -0.123823D+01  0.101832D+01  0.102190D+01  0.276099D+00 -0.113648D+01
      2  -0.225802D+01 -0.207745D+01 -0.193654D+01  0.517452D-01 -0.493084D+00
      3   0.514258D+00 -0.551803D+00 -0.930980D+00 -0.402239D-01  0.392931D+00
               101           102           103           104           105 
      1  -0.773874D+00 -0.278214D+01 -0.555971D+00 -0.178440D+01 -0.230663D+01
      2   0.956883D-01  0.431032D+00  0.762632D-01 -0.157352D+00  0.352615D+00
      3   0.101586D+01  0.747251D+00  0.199111D+01  0.392305D+00  0.772828D+00
               106           107           108           109           110 
      1  -0.447166D+01 -0.185845D+01 -0.135178D+02  0.262526D+01  0.225132D+01
      2  -0.247709D+01  0.658780D+00  0.696985D+00  0.800082D+00 -0.302883D+00
      3   0.365684D+01  0.238891D-01  0.346365D+01  0.800361D+01  0.361750D+01
               111           112           113           114           115 
      1  -0.393578D+01  0.200000D+01  0.184787D+01 -0.251826D+01 -0.301630D+01
      2   0.118076D+01 -0.986274D-01  0.325920D-01  0.977210D+00 -0.722268D+00
      3  -0.242853D+01  0.733270D+01  0.316839D+01 -0.157096D+01 -0.604148D+01
               116           117           118           119           120 
      1  -0.181923D+01  0.268937D+01  0.724218D+00  0.337140D-01  0.115821D+01
      2   0.418268D+00 -0.802754D+00  0.501007D+01 -0.201557D+01  0.499943D+01
      3  -0.208292D+01  0.240422D+01  0.653829D+01 -0.740582D+01  0.121733D+01
               121           122           123           124           125 
      1  -0.452152D+00  0.158104D-02 -0.147125D+01  0.542271D+00  0.315111D+00
      2  -0.309456D+01  0.197257D+01 -0.310681D+01  0.318090D+01 -0.121652D+01
      3  -0.602855D+01  0.572471D+01 -0.136753D+01  0.222948D+01 -0.259379D+01
               126 
      1   0.431845D+00
      2   0.156340D+01
      3   0.891115D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.187610D+02 -0.345346D+00 -0.230849D+01 -0.790830D+01  0.133248D+02
      2   0.103636D+02 -0.248129D+01 -0.472771D+01  0.354455D+01 -0.188870D+02
      3   0.839745D+01  0.282664D+01  0.703620D+01  0.436375D+01  0.556224D+01
      4  -0.393254D+01  0.474126D+00 -0.220277D+01  0.775639D+01  0.672265D+01
      5   0.453960D+01 -0.256076D+01 -0.409815D+01  0.105827D+01  0.371604D+01
      6  -0.426517D+01  0.272957D+01 -0.334373D+01  0.119264D+01 -0.703544D+01
                 6             7             8             9            10 
      1   0.277160D+01  0.615499D+01  0.251284D+01  0.192948D+02 -0.990757D+00
      2  -0.637299D+01 -0.565186D+01 -0.484361D+01  0.199704D+01  0.488774D+01
      3   0.360139D+01 -0.503128D+00  0.233077D+01 -0.212918D+02 -0.389698D+01
      4   0.303963D+01  0.371761D+00  0.547638D+01  0.118409D+01  0.209190D+00
      5  -0.169883D+01  0.478968D+01  0.256305D+01 -0.156903D+02 -0.652185D+00
      6   0.127289D+01 -0.155591D+01 -0.966085D+00  0.872555D+01  0.160266D+01
                11            12            13            14            15 
      1   0.185254D+01 -0.755678D+00  0.195985D+01  0.647767D+01  0.496830D+00
      2  -0.150336D+01  0.188115D-01 -0.346974D+00 -0.105717D+02 -0.141164D+01
      3  -0.349186D+00  0.736867D+00 -0.161288D+01  0.409404D+01  0.914812D+00
      4   0.344818D+01  0.745227D+00 -0.740824D+01  0.555921D+00 -0.114792D+01
      5   0.107400D+01  0.100455D+01 -0.110898D+00 -0.745875D+00  0.175475D+01
      6  -0.242143D+01  0.287338D+00 -0.284692D+01 -0.251827D-01 -0.433481D+01
                16            17            18            19            20 
      1  -0.623370D+01  0.132587D+01  0.601698D+01 -0.527866D+01  0.117129D+02
      2   0.789409D+00 -0.508614D+01  0.110370D+02  0.469772D+00 -0.120483D+02
      3   0.544429D+01  0.376027D+01 -0.170540D+02  0.480889D+01  0.335431D+00
      4  -0.230905D+01 -0.126936D+01  0.292340D+00  0.507478D+01 -0.135300D+02
      5  -0.153100D+01 -0.785822D+00  0.893274D+01 -0.682746D+00 -0.153418D+01
      6  -0.448440D-01  0.161248D+01  0.145737D+01 -0.562518D+00 -0.104697D+00
                21            22            23            24            25 
      1  -0.920263D+00 -0.547379D+00  0.515089D+01 -0.306291D+00  0.249852D+01
      2  -0.180719D+01 -0.410844D+01 -0.167672D+02  0.102240D+01 -0.222448D+01
      3   0.272746D+01  0.465582D+01  0.116163D+02 -0.716109D+00 -0.274042D+00
      4  -0.109762D+01 -0.242665D+02 -0.236386D+02  0.538760D+00 -0.588256D+00
      5  -0.720592D+01 -0.209026D+01 -0.238078D+00 -0.183657D+01  0.228860D+01
      6   0.167124D+01 -0.611977D+00 -0.126320D+01 -0.147776D+02 -0.326172D+00
                26            27            28            29            30 
      1  -0.272761D+01 -0.559834D+01  0.443236D+02 -0.919566D+01 -0.396121D+00
      2   0.187439D+01 -0.670998D+01 -0.272424D+02  0.301840D+01  0.107239D+01
      3   0.853223D+00  0.123083D+02 -0.170812D+02  0.617726D+01 -0.676267D+00
      4   0.316544D+01 -0.197941D+01 -0.213130D+02  0.182613D+02  0.114391D+01
      5  -0.143577D+01  0.324532D+01 -0.154587D+01  0.525857D+00  0.148737D+02
      6   0.404418D+01  0.106522D+00  0.666794D+00 -0.353232D+00 -0.498410D+01
                31            32            33            34            35 
      1   0.498641D+01  0.106989D+02 -0.659424D+00 -0.146091D+01  0.844129D+00
      2  -0.677473D+01 -0.417807D+01  0.603149D-02  0.185547D+01 -0.160469D-02
      3   0.178832D+01 -0.652081D+01  0.653393D+00 -0.394556D+00 -0.842524D+00
      4   0.170078D+02 -0.396718D+01 -0.135645D+01  0.168392D+01 -0.154678D+01
      5  -0.700815D+00 -0.150986D+01 -0.345956D+01  0.140283D+02 -0.574720D+01
      6  -0.875290D+00  0.771327D+00  0.828259D+01 -0.198777D+01  0.524226D+01
                36            37            38            39            40 
      1   0.562434D+01  0.102581D+02  0.166263D+02 -0.651100D+01  0.340331D+02
      2  -0.787074D+01 -0.916974D+01 -0.724105D+01  0.684374D+01 -0.179710D+02
      3   0.224640D+01 -0.108841D+01 -0.938527D+01 -0.332742D+00 -0.160621D+02
      4  -0.541847D+01  0.205592D+02  0.189162D+01  0.431968D+01 -0.515723D+01
      5  -0.394101D+01 -0.120679D+02  0.417548D+01  0.926652D+01  0.388338D+01
      6   0.114651D+01  0.237019D+01 -0.981523D+00  0.111525D+01 -0.121153D+01
                41            42            43            44            45 
      1  -0.720334D+01  0.340978D+01 -0.194324D+02  0.369938D+01 -0.641507D+00
      2   0.627393D+01  0.226239D+00  0.106815D+02 -0.157875D+01 -0.556005D+01
      3   0.929406D+00 -0.363602D+01  0.875096D+01 -0.212063D+01  0.620155D+01
      4   0.152821D+02 -0.590250D+01  0.689278D+01 -0.722954D+01  0.247783D+01
      5  -0.510695D+01  0.610451D+01  0.874578D+01  0.319183D+01 -0.749910D+01
      6   0.154858D+01  0.320235D+01 -0.497495D+00  0.300846D+01  0.106242D+01
                46            47            48            49            50 
      1   0.140558D+02 -0.112024D+00  0.170999D+01  0.218252D+01 -0.184254D+02
      2  -0.144778D+02 -0.428618D+01  0.178856D+01 -0.641616D+01  0.281122D+02
      3   0.421980D+00  0.439820D+01 -0.349855D+01  0.423364D+01 -0.968688D+01
      4  -0.968080D+01 -0.679990D+01  0.358350D+01 -0.735658D+00 -0.650157D+01
      5   0.222447D+01  0.149729D+01  0.775159D+00  0.106618D+01  0.779301D+00
      6   0.521294D+01  0.310992D+01 -0.866667D+01  0.343368D+01  0.554165D+01
                51            52            53            54            55 
      1  -0.980526D+00 -0.158067D+00 -0.777281D-01  0.117551D+01  0.103042D+02
      2   0.426230D+01  0.323951D+01  0.572020D+01  0.666863D+00 -0.120522D+01
      3  -0.328178D+01 -0.308144D+01 -0.564247D+01 -0.184237D+01 -0.909894D+01
      4   0.182783D+01  0.508003D+01  0.249015D+01 -0.899608D+01  0.176915D+02
      5  -0.243725D+01  0.909310D+00 -0.355743D+01 -0.437582D+01  0.998902D+00
      6   0.321029D+01 -0.102047D+02 -0.129563D+01 -0.136955D+02  0.598324D+00
                56            57            58            59            60 
      1   0.471699D+01 -0.447889D+00  0.846899D+01 -0.212541D+02 -0.211179D+00
      2   0.379937D+01  0.564092D+00  0.321838D+01  0.420767D+02 -0.418604D+00
      3  -0.851636D+01 -0.116202D+00 -0.116874D+02 -0.208226D+02  0.629783D+00
      4   0.225906D+02  0.682321D+00  0.265055D+02  0.474665D+02  0.716331D+00
      5   0.940693D+00  0.757011D+01  0.123876D+01  0.137971D+01  0.921557D+01
      6   0.804729D+00  0.413079D+01  0.103662D+01  0.914732D+00  0.178647D+02
                61            62            63            64            65 
      1  -0.129185D+00  0.425766D+00 -0.335043D+01  0.111544D+01 -0.251596D+00
      2   0.712395D+00 -0.966300D+00  0.271464D+01 -0.383568D+01  0.674400D-01
      3  -0.583209D+00  0.540535D+00  0.635791D+00  0.272024D+01  0.184156D+00
      4  -0.162209D+00 -0.921735D+00  0.111397D+02 -0.462337D+00  0.152168D+01
      5   0.901310D+01  0.113370D+02 -0.533830D+00 -0.159684D+01 -0.376147D+00
      6   0.396208D+01  0.139323D+02 -0.181535D+00 -0.506140D+00  0.611983D+00
                66            67            68            69            70 
      1  -0.786108D-01  0.957196D-01 -0.418067D+01 -0.383066D-01  0.971570D+00
      2   0.145513D+01  0.765843D+00  0.612106D+00 -0.805719D+00  0.264066D+01
      3  -0.137652D+01 -0.861562D+00  0.356856D+01  0.844026D+00 -0.361223D+01
      4  -0.552263D+00  0.276224D+01 -0.185696D+00 -0.462236D+00  0.102208D+01
      5   0.676753D+01  0.214928D+00 -0.766049D+00 -0.901790D+00  0.512794D+01
      6   0.346682D+00 -0.517151D-01  0.284622D+00  0.705364D+01  0.228997D+00
                71            72            73            74            75 
      1   0.158574D+01 -0.176706D+02 -0.567809D+00  0.436030D+00  0.506587D+01
      2  -0.549750D+00 -0.163251D+02 -0.274217D+01 -0.295537D+00 -0.917668D+00
      3  -0.103599D+01  0.339957D+02  0.330998D+01 -0.140494D+00 -0.414820D+01
      4  -0.537051D+00 -0.214900D+00  0.543405D+00  0.997060D+00 -0.143688D+01
      5   0.425743D+00 -0.766356D+01  0.153248D+01 -0.317553D+00  0.459879D+01
      6   0.421035D+01 -0.308945D+01 -0.123859D+01 -0.103280D+01  0.753700D+00
                76            77            78            79            80 
      1   0.141615D+01 -0.554640D+01  0.127612D+01  0.722714D+01  0.287625D+01
      2  -0.731839D+00  0.296655D+01 -0.115284D+01 -0.206979D+01 -0.158323D+00
      3  -0.684314D+00  0.257986D+01 -0.123280D+00 -0.515735D+01 -0.271793D+01
      4   0.217467D+00 -0.131615D+01  0.242929D+01 -0.293359D+01  0.235174D+01
      5  -0.174097D+00  0.214919D+01  0.613803D+00  0.390405D+01 -0.341813D+01
      6  -0.464467D-01 -0.141924D+01  0.614007D+01  0.320559D+00  0.683037D+01
                81            82            83            84            85 
      1  -0.237820D+02 -0.793670D+00 -0.361129D+01 -0.175980D+01 -0.481249D+01
      2  -0.110314D+02  0.323041D+01  0.277516D+01  0.118042D+01  0.329741D+01
      3   0.348134D+02 -0.243674D+01  0.836130D+00  0.579380D+00  0.151508D+01
      4  -0.159835D+01 -0.918000D+00  0.381063D+01  0.122044D+01  0.498068D+01
      5   0.189525D+02 -0.950211D+00  0.452566D+00  0.128421D+01 -0.164975D+00
      6  -0.136085D+02  0.147043D+01  0.208025D+00  0.294402D+00  0.389972D+00
                86            87            88            89            90 
      1  -0.195005D+02 -0.252156D+01 -0.316218D+01 -0.407968D+01 -0.623974D+01
      2   0.328342D+02  0.510591D+01  0.245122D+01  0.591671D+01  0.340512D+01
      3  -0.133336D+02 -0.258435D+01  0.710960D+00 -0.183703D+01  0.283462D+01
      4  -0.179965D+02 -0.204391D+01  0.128396D+01 -0.450926D+01 -0.274690D+01
      5  -0.256749D+01 -0.213612D+01  0.427918D+00 -0.339785D+01 -0.394388D+00
      6   0.379216D+01  0.532810D+01  0.227724D+00  0.693416D+01  0.235835D+01
                91            92            93            94            95 
      1  -0.117810D+02 -0.236801D+01 -0.464175D-01 -0.135941D+02 -0.686592D+01
      2   0.104316D+02 -0.458592D+00  0.278385D+00  0.736456D+01  0.113287D+02
      3   0.134933D+01  0.282660D+01 -0.231968D+00  0.622955D+01 -0.446277D+01
      4  -0.116190D+01  0.792343D-01 -0.427279D+00  0.833146D+01 -0.175582D+02
      5   0.741413D+00  0.456722D+00 -0.184761D+01  0.118572D+01  0.315879D+00
      6  -0.244542D+00  0.106564D-01 -0.206307D+01  0.275493D-01  0.408318D+00
                96            97            98            99           100 
      1   0.214088D+00  0.103225D+01  0.111860D+00 -0.108863D+01 -0.101924D+01
      2  -0.172452D+00 -0.678165D+00 -0.263984D+00  0.255343D+00  0.106449D+01
      3  -0.416360D-01 -0.354088D+00  0.152123D+00  0.833292D+00 -0.452508D-01
      4  -0.322991D+00 -0.381335D+00  0.123449D+00 -0.276177D+01  0.202035D+01
      5  -0.408447D+01  0.261531D+01 -0.255436D+01  0.636635D-01  0.226258D+01
      6   0.182548D+01 -0.168222D+01  0.297399D+01 -0.135700D+00  0.223310D+01
               101           102           103           104           105 
      1  -0.789323D+00 -0.798377D+00 -0.930869D-01 -0.344628D+01 -0.158234D+01
      2   0.137968D+01  0.466056D+00  0.399028D+00  0.406093D+01  0.218221D+01
      3  -0.590356D+00  0.332320D+00 -0.305941D+00 -0.614652D+00 -0.599874D+00
      4   0.433449D+01  0.259438D+01  0.394695D+01  0.246397D+01  0.251299D+01
      5   0.150839D+01  0.399768D+01  0.817799D+00  0.163163D+01  0.151118D+01
      6   0.299101D+01  0.498943D+01  0.260094D+01  0.311364D+01  0.633371D+01
               106           107           108           109           110 
      1  -0.144534D+00 -0.595328D+01 -0.961812D+01  0.652496D+00 -0.366897D+01
      2  -0.129873D+01  0.439683D+01 -0.354435D+01  0.640232D+01  0.109665D+02
      3   0.144326D+01  0.155645D+01  0.131625D+02 -0.705482D+01 -0.729751D+01
      4   0.510926D+01  0.485929D+01  0.627575D+01  0.142886D+02  0.153802D+02
      5   0.439006D+01  0.318347D+01  0.814906D+01 -0.381648D+01 -0.303772D+01
      6   0.656564D+01  0.966537D+01  0.230275D+02 -0.638864D+01 -0.606604D+01
               111           112           113           114           115 
      1   0.524525D-01 -0.210139D+01 -0.588123D+01  0.127695D+01  0.125782D+01
      2  -0.289387D+01  0.797270D+01  0.138672D+02 -0.385469D+01 -0.337574D+01
      3   0.284141D+01 -0.587131D+01 -0.798594D+01  0.257775D+01  0.211792D+01
      4  -0.553116D+01  0.138043D+02  0.122855D+02 -0.432454D+01 -0.827612D+01
      5   0.423727D+01 -0.142097D+01 -0.274315D+01  0.174108D+01  0.425782D+01
      6   0.648688D+01 -0.490114D+01 -0.593528D+01  0.538457D+01  0.676042D+01
               116           117           118           119           120 
      1   0.349867D+01 -0.258303D+01  0.500805D+02 -0.154838D+02  0.626075D+01
      2  -0.592973D+01  0.232015D+01 -0.239760D+02  0.654843D+01 -0.285435D+01
      3   0.243106D+01  0.262876D+00 -0.261045D+02  0.893539D+01 -0.340641D+01
      4  -0.705405D+01  0.621322D+01 -0.232794D+02  0.139608D+02 -0.331845D+01
      5   0.345581D+01 -0.344177D+01  0.831261D+01 -0.308162D+01  0.766855D+01
      6   0.810852D+01 -0.651233D+01 -0.948827D+00  0.493821D+00 -0.101814D+01
               121           122           123           124           125 
      1  -0.238453D+02  0.123717D+02 -0.296109D+01  0.120455D+02 -0.385756D+01
      2   0.930542D+01 -0.316859D+01  0.101454D+01 -0.660459D+01  0.165471D+01
      3   0.145399D+02 -0.920309D+01  0.194655D+01 -0.544093D+01  0.220285D+01
      4   0.209534D+02 -0.139737D+02  0.379554D+01 -0.679323D+01  0.460133D+01
      5  -0.480303D+01  0.370571D+01 -0.438629D+01  0.973164D+01 -0.362130D+01
      6   0.116345D+01 -0.973683D+00  0.210639D+01 -0.212726D+01  0.211922D+01
               126 
      1   0.586595D+01
      2  -0.394949D+01
      3  -0.191646D+01
      4  -0.386711D+01
      5   0.349628D+01
      6  -0.938166D+00
 Leave Link  716 at Thu Aug 12 19:49:43 2021, MaxMem=  5368709120 cpu:               0.5 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.686985D+02 -0.360941D+00 -0.700186D+00
      2  -0.360941D+00  0.664200D+02 -0.276979D+00
      3  -0.700186D+00 -0.276979D+00  0.488924D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.886243D+00 -0.173926D+01 -0.156748D+01
      2   0.258576D+01 -0.914884D+00  0.116229D+02
      3   0.672032D+01  0.541868D+01  0.231290D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.318128D+02 -0.539232D+01 -0.157534D+01
      2  -0.208886D+02  0.391903D+01 -0.233539D+01
      3  -0.109242D+02  0.147330D+01  0.391073D+01
      4   0.115305D+01 -0.803961D+01 -0.356344D+01
      5   0.375658D+01 -0.573417D+01  0.262628D+02
      6  -0.183604D+01  0.256643D+01  0.664481D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    42 ND12= 1 LenFil=    1515:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.983860D+00 -0.214955D+01  0.985395D+00 -0.302477D+01  0.116502D+01
      2  -0.214955D+01  0.273030D+01 -0.416889D+00  0.116502D+01  0.464697D+01
      3   0.985395D+00 -0.416889D+00  0.156658D+01  0.327056D-01  0.172010D+01
                 6             7             8             9            10 
      1   0.327056D-01  0.180603D+01 -0.259297D+00  0.136086D+01  0.163986D+01
      2   0.172010D+01 -0.259297D+00  0.227447D+01  0.102373D+01  0.326838D+01
      3   0.479286D+00  0.136086D+01  0.102373D+01 -0.859660D+01 -0.611628D+00
                11            12            13            14            15 
      1   0.326838D+01 -0.611628D+00  0.218453D+01 -0.657020D-01 -0.363213D-01
      2  -0.247018D+01  0.628014D+00 -0.657020D-01 -0.393444D+01 -0.881093D+00
      3   0.628014D+00 -0.608576D+00 -0.363213D-01 -0.881093D+00  0.477907D+00
                16            17            18            19            20 
      1  -0.542996D+00  0.120513D+01 -0.619810D+00 -0.261749D+01 -0.224446D+01
      2   0.120513D+01 -0.158734D+01 -0.885295D-01 -0.224446D+01  0.179224D+01
      3  -0.619810D+00 -0.885295D-01  0.765039D+01 -0.133349D+00  0.260327D-01
                21            22            23            24            25 
      1  -0.133349D+00 -0.601637D+00  0.313165D+01  0.131404D+00  0.114662D+00
      2   0.260327D-01  0.313165D+01  0.658301D+01 -0.953288D-01  0.241574D+00
      3  -0.479957D+00  0.131404D+00 -0.953288D-01  0.500207D+00 -0.230795D+00
                26            27            28            29            30 
      1   0.241574D+00 -0.230795D+00 -0.792861D+01  0.180796D+01  0.372117D+00
      2   0.448396D+00  0.270213D+00  0.180796D+01 -0.275710D+01 -0.249278D+00
      3   0.270213D+00 -0.462668D+00  0.372117D+00 -0.249278D+00 -0.926989D+00
                31            32            33            34            35 
      1  -0.203196D+01 -0.420681D+01 -0.968295D-01  0.995077D+00 -0.226607D+00
      2  -0.420681D+01 -0.109499D+01  0.169354D+00 -0.226607D+00  0.160460D+00
      3  -0.968295D-01  0.169354D+00  0.536697D+00 -0.179254D+01  0.122080D+01
                36            37            38            39            40 
      1  -0.179254D+01  0.679726D+00  0.300043D+01 -0.157357D+01  0.655147D+01
      2   0.122080D+01  0.300043D+01 -0.125898D+01  0.629289D+00 -0.991295D+00
      3   0.723706D+00 -0.157357D+01  0.629289D+00 -0.706897D+00  0.617387D+00
                41            42            43            44            45 
      1  -0.991295D+00  0.617387D+00 -0.389164D+01  0.796392D+00  0.763204D+00
      2   0.247967D+01 -0.104716D+01  0.796392D+00 -0.105003D+01  0.419602D+00
      3  -0.104716D+01  0.532678D+00  0.763204D+00  0.419602D+00 -0.618658D+00
                46            47            48            49            50 
      1  -0.247372D+01 -0.279821D+01  0.110205D+01 -0.145950D+01 -0.182843D+01
      2  -0.279821D+01 -0.135539D+01  0.758252D-01 -0.182843D+01  0.478540D+01
      3   0.110205D+01  0.758252D-01 -0.194885D+01  0.342303D+00  0.800956D+00
                51            52            53            54            55 
      1   0.342303D+00  0.150733D+01  0.340370D+00 -0.215930D+01 -0.200346D+01
      2   0.800956D+00  0.340370D+00  0.100177D+01 -0.866984D+00 -0.319914D+01
      3  -0.733179D+00 -0.215930D+01 -0.866984D+00 -0.460211D+01 -0.125628D-01
                56            57            58            59            60 
      1  -0.319914D+01 -0.125628D-01 -0.420007D+01 -0.301987D+01 -0.908169D-02
      2  -0.286624D+01 -0.201739D+00 -0.301987D+01 -0.131182D+02  0.551325D-01
      3  -0.201739D+00 -0.271187D+00 -0.908169D-02  0.551325D-01 -0.243526D+01
                61            62            63            64            65 
      1  -0.222653D+00 -0.995518D-02 -0.108497D+01  0.435289D+00 -0.498031D+00
      2  -0.995518D-02  0.134021D+00 -0.320201D+01 -0.498031D+00  0.519169D+00
      3  -0.108497D+01 -0.320201D+01  0.102051D+00 -0.104012D+01 -0.918046D-01
                66            67            68            69            70 
      1  -0.104012D+01 -0.857432D+00  0.380016D+00  0.828422D-01 -0.204731D+01
      2  -0.918046D-01  0.380016D+00  0.655712D+00 -0.104390D+01 -0.195619D+00
      3   0.105355D+01  0.828422D-01 -0.104390D+01 -0.304776D+00  0.695082D+00
                71            72            73            74            75 
      1  -0.195619D+00  0.695082D+00 -0.413303D+00  0.195629D+00  0.111596D+01
      2  -0.152498D+01  0.227296D+00  0.195629D+00 -0.299962D+00  0.126906D+00
      3   0.227296D+00 -0.885674D+01  0.111596D+01  0.126906D+00 -0.947922D+00
                76            77            78            79            80 
      1   0.620178D+00 -0.214868D+00 -0.762879D-02  0.209959D+01 -0.248946D+00
      2  -0.214868D+00 -0.833858D+00  0.102377D+01 -0.248946D+00  0.126868D+01
      3  -0.762879D-02  0.102377D+01  0.233184D+00 -0.441299D+00 -0.127096D+01
                81            82            83            84            85 
      1  -0.441299D+00 -0.865862D+00 -0.766407D+00 -0.569339D+00 -0.144206D+01
      2  -0.127096D+01 -0.766407D+00 -0.407294D+00  0.259763D-01 -0.208570D-01
      3   0.918462D+01 -0.569339D+00  0.259763D-01 -0.376382D-01 -0.852067D-01
                86            87            88            89            90 
      1  -0.208570D-01 -0.852067D-01 -0.119507D+01  0.906028D-01 -0.213413D+00
      2  -0.847072D+01 -0.119144D+01  0.906028D-01 -0.198837D+01 -0.144679D+01
      3  -0.119144D+01 -0.118381D+01 -0.213413D+00 -0.144679D+01 -0.854530D-02
                91            92            93            94            95 
      1   0.218600D+01  0.216219D+01 -0.152844D+00  0.520120D+01  0.173073D+00
      2   0.216219D+01  0.398652D+00  0.153231D+00  0.173073D+00  0.520446D+01
      3  -0.152844D+00  0.153231D+00 -0.409063D+00 -0.894232D-01  0.133507D+00
                96            97            98            99           100 
      1  -0.894232D-01 -0.336969D+00 -0.858969D-01 -0.663680D+00  0.154534D+00
      2   0.133507D+00 -0.858969D-01 -0.111882D+00  0.669661D+00  0.887058D+00
      3   0.900841D+00 -0.663680D+00  0.669661D+00  0.593894D-01  0.706767D+00
               101           102           103           104           105 
      1   0.887058D+00  0.706767D+00  0.666373D+00  0.283368D+00  0.478247D+00
      2   0.462145D+00  0.702721D+00  0.283368D+00  0.127481D+01  0.740124D+00
      3   0.702721D+00  0.106651D+01  0.478247D+00  0.740124D+00  0.749775D+00
               106           107           108           109           110 
      1   0.177676D+01  0.553526D+00  0.166977D+01  0.349292D+01  0.290012D+01
      2   0.553526D+00  0.255698D+01  0.208311D+01  0.290012D+01  0.356845D+01
      3   0.166977D+01  0.208311D+01  0.652471D+01 -0.114959D+01 -0.964544D+00
               111           112           113           114           115 
      1  -0.114959D+01  0.318392D+01  0.252225D+01 -0.822440D+00 -0.250156D+01
      2  -0.964544D+00  0.252225D+01  0.378792D+01 -0.929254D+00 -0.145732D+01
      3   0.140786D+01 -0.822440D+00 -0.929254D+00  0.105863D+01  0.136339D+01
               116           117           118           119           120 
      1  -0.145732D+01  0.136339D+01  0.869796D+01 -0.256596D+01  0.960711D+00
      2  -0.226411D+01  0.141815D+01 -0.256596D+01  0.194419D+01 -0.443740D+00
      3   0.141815D+01 -0.145133D+01  0.960711D+00 -0.443740D+00  0.124258D+01
               121           122           123           124           125 
      1  -0.479026D+01  0.269247D+01 -0.537958D+00  0.243875D+01 -0.743953D+00
      2   0.269247D+01 -0.196577D+01  0.545228D+00 -0.743953D+00  0.681943D+00
      3  -0.537958D+00  0.545228D+00 -0.812180D+00  0.135349D+01 -0.457284D+00
               126 
      1   0.135349D+01
      2  -0.457284D+00
      3   0.351779D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.126518D+01  0.395891D+00  0.253644D+01 -0.103599D+01  0.796668D+01
      2   0.253233D+01 -0.126244D+01 -0.228211D+00 -0.225964D-01  0.639927D+00
      3   0.331973D+01  0.153661D+01  0.428010D+00  0.694370D+01 -0.743721D+01
                 6             7             8             9            10 
      1  -0.105673D+01  0.185400D+01  0.296800D+01 -0.722522D+01 -0.124220D+01
      2  -0.856086D+00 -0.133892D+01  0.126407D+01 -0.631918D+01  0.170112D+01
      3  -0.222396D+01 -0.264799D+01 -0.304785D+01 -0.278646D+01  0.105732D+01
                11            12            13            14            15 
      1   0.867106D+00 -0.498225D+00  0.109808D+01  0.458644D+00 -0.305650D+00
      2  -0.902855D+00  0.304346D+01  0.234674D+01 -0.207596D+01  0.106252D+01
      3  -0.464810D+01  0.619546D+00 -0.149331D+01  0.110455D+01  0.687686D+00
                16            17            18            19            20 
      1  -0.111749D+01  0.475333D+01  0.657137D-01  0.843368D+00  0.791192D+00
      2  -0.314705D+01  0.321986D+00  0.130563D+01 -0.482264D+01  0.964584D-01
      3  -0.113155D+01  0.157677D+01  0.634696D+00 -0.709866D+01  0.854582D+00
                21            22            23            24            25 
      1   0.161370D+00  0.192296D+01  0.110259D-01  0.960045D+01 -0.492494D+00
      2  -0.579667D+01 -0.822648D+00  0.185090D+01 -0.188200D+01 -0.191634D+02
      3  -0.246935D+00 -0.390619D+00  0.104864D+02 -0.183891D+01  0.267298D+01
                26            27            28            29            30 
      1   0.101230D+02  0.343400D-01 -0.892242D+00 -0.615662D+00  0.297540D+01
      2  -0.125487D+01  0.331457D+01  0.443943D+00  0.341965D+00  0.799422D+01
      3  -0.241069D+01  0.989371D+00 -0.547278D+01 -0.159897D+02 -0.270353D-01
                31            32            33            34            35 
      1  -0.246860D+00 -0.638887D+00 -0.404191D+01  0.781715D+00  0.215176D+01
      2   0.100011D+01 -0.207839D+00 -0.968175D+00  0.547344D+01 -0.106521D+01
      3  -0.123559D+02 -0.111148D+02  0.835052D-01  0.843840D-02  0.196177D+01
                36            37            38            39            40 
      1  -0.530526D+00 -0.567584D+00 -0.729254D+00 -0.192847D+01  0.118607D+01
      2  -0.218242D+01 -0.722039D+01  0.206897D+01  0.445626D+01  0.243322D+01
      3   0.185248D+01 -0.138947D+02 -0.310336D+01 -0.113356D+01  0.529153D+01
                41            42            43            44            45 
      1  -0.758143D+00 -0.162562D+01  0.650632D-01  0.317922D+01 -0.208135D+00
      2  -0.231803D+01  0.420622D+01 -0.433488D+01  0.168718D+01 -0.377799D+01
      3  -0.999997D+01  0.193763D+01 -0.102039D+01  0.401113D+01 -0.186199D+01
                46            47            48            49            50 
      1  -0.280782D+01 -0.116800D+01  0.506399D+01 -0.231056D+01 -0.408894D+01
      2  -0.129031D+00  0.190525D+01  0.372048D+01  0.734597D+00  0.556580D+00
      3  -0.542889D+01 -0.132986D+02  0.189328D+01  0.133232D+01 -0.209674D+01
                51            52            53            54            55 
      1  -0.294410D+01  0.593208D+01  0.715171D+01  0.873426D+01  0.169240D+00
      2  -0.801002D+00 -0.342332D+01 -0.739901D+00  0.338498D+00  0.204647D+00
      3   0.888227D+00  0.399155D+01  0.118130D+01 -0.501777D+01  0.198149D+00
                56            57            58            59            60 
      1  -0.122950D-01 -0.302951D+01 -0.149855D+00  0.105156D+01 -0.112502D+02
      2   0.142914D+00  0.496264D+01 -0.118321D+01 -0.976049D+00  0.460651D+01
      3  -0.593579D+01 -0.198281D+00  0.105219D+02 -0.183982D+02  0.687301D+00
                61            62            63            64            65 
      1  -0.362820D+00  0.848433D+00  0.428807D+00  0.257363D+00 -0.849254D+00
      2   0.283393D+01  0.442043D+01 -0.122806D+01  0.768106D+00 -0.235255D+00
      3  -0.158030D+01  0.666281D+00 -0.462540D+01  0.305071D+00 -0.660229D+00
                66            67            68            69            70 
      1   0.739588D-01 -0.641260D+00 -0.728521D+00 -0.438532D+00  0.316841D+00
      2   0.824551D+00 -0.352033D+00  0.495383D+00 -0.552158D+00 -0.255220D+01
      3  -0.232081D+00  0.138075D+01 -0.327272D+00  0.207170D+00 -0.806372D-02
                71            72            73            74            75 
      1   0.297422D+01  0.110427D+01  0.111249D+01 -0.549610D+00 -0.439373D+00
      2  -0.120948D+00 -0.191519D+01  0.189639D+01  0.307794D+00 -0.390600D+00
      3   0.318759D+00  0.208007D+00  0.524625D+00 -0.854742D+00 -0.111100D+01
                76            77            78            79            80 
      1  -0.442878D+00  0.453298D+00 -0.442072D+00 -0.881939D+00  0.291944D+01
      2  -0.208903D+00  0.148067D+01 -0.776916D-02 -0.526988D+01 -0.113052D+01
      3   0.429156D+00  0.904728D+00 -0.925167D+00 -0.167804D+01 -0.943153D+00
                81            82            83            84            85 
      1   0.853094D+01 -0.112302D+01 -0.123334D-01 -0.380096D+00 -0.341147D+00
      2   0.946374D+01 -0.554716D+00  0.305621D+00  0.724536D+00 -0.371990D+00
      3   0.203621D+01  0.318932D+01  0.131239D+01  0.675381D+00  0.557869D+01
                86            87            88            89            90 
      1  -0.448007D+01 -0.440719D+01 -0.347799D+00 -0.151785D+01 -0.952350D+00
      2  -0.546613D+00 -0.773057D+00 -0.133155D+01 -0.112537D+01 -0.158966D+00
      3   0.986429D+01  0.179793D+01  0.210034D+01  0.226949D+01  0.185210D+01
                91            92            93            94            95 
      1   0.772237D+00  0.371059D+00  0.102423D+01  0.319862D+00  0.826671D+00
      2  -0.487130D+00 -0.684031D+00 -0.147591D+01 -0.436365D+00 -0.746790D+00
      3   0.854624D+01  0.103489D+02 -0.650132D-01  0.138162D+02  0.175481D+02
                96            97            98            99           100 
      1  -0.123823D+01  0.101832D+01  0.102190D+01  0.276099D+00 -0.113648D+01
      2  -0.225802D+01 -0.207745D+01 -0.193654D+01  0.517452D-01 -0.493084D+00
      3   0.514258D+00 -0.551803D+00 -0.930980D+00 -0.402239D-01  0.392931D+00
               101           102           103           104           105 
      1  -0.773874D+00 -0.278214D+01 -0.555971D+00 -0.178440D+01 -0.230663D+01
      2   0.956883D-01  0.431032D+00  0.762632D-01 -0.157352D+00  0.352615D+00
      3   0.101586D+01  0.747251D+00  0.199111D+01  0.392305D+00  0.772828D+00
               106           107           108           109           110 
      1  -0.447166D+01 -0.185845D+01 -0.135178D+02  0.262526D+01  0.225132D+01
      2  -0.247709D+01  0.658780D+00  0.696985D+00  0.800082D+00 -0.302883D+00
      3   0.365684D+01  0.238891D-01  0.346365D+01  0.800361D+01  0.361750D+01
               111           112           113           114           115 
      1  -0.393578D+01  0.200000D+01  0.184787D+01 -0.251826D+01 -0.301630D+01
      2   0.118076D+01 -0.986274D-01  0.325920D-01  0.977210D+00 -0.722268D+00
      3  -0.242853D+01  0.733270D+01  0.316839D+01 -0.157096D+01 -0.604148D+01
               116           117           118           119           120 
      1  -0.181923D+01  0.268937D+01  0.724218D+00  0.337140D-01  0.115821D+01
      2   0.418268D+00 -0.802754D+00  0.501007D+01 -0.201557D+01  0.499943D+01
      3  -0.208292D+01  0.240422D+01  0.653829D+01 -0.740582D+01  0.121733D+01
               121           122           123           124           125 
      1  -0.452152D+00  0.158104D-02 -0.147125D+01  0.542271D+00  0.315111D+00
      2  -0.309456D+01  0.197257D+01 -0.310681D+01  0.318090D+01 -0.121652D+01
      3  -0.602855D+01  0.572471D+01 -0.136753D+01  0.222948D+01 -0.259379D+01
               126 
      1   0.431845D+00
      2   0.156340D+01
      3   0.891115D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.187610D+02 -0.345346D+00 -0.230849D+01 -0.790830D+01  0.133248D+02
      2   0.103636D+02 -0.248129D+01 -0.472771D+01  0.354455D+01 -0.188870D+02
      3   0.839745D+01  0.282664D+01  0.703620D+01  0.436375D+01  0.556224D+01
      4  -0.393254D+01  0.474126D+00 -0.220277D+01  0.775639D+01  0.672265D+01
      5   0.453960D+01 -0.256076D+01 -0.409815D+01  0.105827D+01  0.371604D+01
      6  -0.426517D+01  0.272957D+01 -0.334373D+01  0.119264D+01 -0.703544D+01
                 6             7             8             9            10 
      1   0.277160D+01  0.615499D+01  0.251284D+01  0.192948D+02 -0.990757D+00
      2  -0.637299D+01 -0.565186D+01 -0.484361D+01  0.199704D+01  0.488774D+01
      3   0.360139D+01 -0.503128D+00  0.233077D+01 -0.212918D+02 -0.389698D+01
      4   0.303963D+01  0.371761D+00  0.547638D+01  0.118409D+01  0.209190D+00
      5  -0.169883D+01  0.478968D+01  0.256305D+01 -0.156903D+02 -0.652185D+00
      6   0.127289D+01 -0.155591D+01 -0.966085D+00  0.872555D+01  0.160266D+01
                11            12            13            14            15 
      1   0.185254D+01 -0.755678D+00  0.195985D+01  0.647767D+01  0.496830D+00
      2  -0.150336D+01  0.188115D-01 -0.346974D+00 -0.105717D+02 -0.141164D+01
      3  -0.349186D+00  0.736867D+00 -0.161288D+01  0.409404D+01  0.914812D+00
      4   0.344818D+01  0.745227D+00 -0.740824D+01  0.555921D+00 -0.114792D+01
      5   0.107400D+01  0.100455D+01 -0.110898D+00 -0.745875D+00  0.175475D+01
      6  -0.242143D+01  0.287338D+00 -0.284692D+01 -0.251827D-01 -0.433481D+01
                16            17            18            19            20 
      1  -0.623370D+01  0.132587D+01  0.601698D+01 -0.527866D+01  0.117129D+02
      2   0.789409D+00 -0.508614D+01  0.110370D+02  0.469772D+00 -0.120483D+02
      3   0.544429D+01  0.376027D+01 -0.170540D+02  0.480889D+01  0.335431D+00
      4  -0.230905D+01 -0.126936D+01  0.292340D+00  0.507478D+01 -0.135300D+02
      5  -0.153100D+01 -0.785822D+00  0.893274D+01 -0.682746D+00 -0.153418D+01
      6  -0.448440D-01  0.161248D+01  0.145737D+01 -0.562518D+00 -0.104697D+00
                21            22            23            24            25 
      1  -0.920263D+00 -0.547379D+00  0.515089D+01 -0.306291D+00  0.249852D+01
      2  -0.180719D+01 -0.410844D+01 -0.167672D+02  0.102240D+01 -0.222448D+01
      3   0.272746D+01  0.465582D+01  0.116163D+02 -0.716109D+00 -0.274042D+00
      4  -0.109762D+01 -0.242665D+02 -0.236386D+02  0.538760D+00 -0.588256D+00
      5  -0.720592D+01 -0.209026D+01 -0.238078D+00 -0.183657D+01  0.228860D+01
      6   0.167124D+01 -0.611977D+00 -0.126320D+01 -0.147776D+02 -0.326172D+00
                26            27            28            29            30 
      1  -0.272761D+01 -0.559834D+01  0.443236D+02 -0.919566D+01 -0.396121D+00
      2   0.187439D+01 -0.670998D+01 -0.272424D+02  0.301840D+01  0.107239D+01
      3   0.853223D+00  0.123083D+02 -0.170812D+02  0.617726D+01 -0.676267D+00
      4   0.316544D+01 -0.197941D+01 -0.213130D+02  0.182613D+02  0.114391D+01
      5  -0.143577D+01  0.324532D+01 -0.154587D+01  0.525857D+00  0.148737D+02
      6   0.404418D+01  0.106522D+00  0.666794D+00 -0.353232D+00 -0.498410D+01
                31            32            33            34            35 
      1   0.498641D+01  0.106989D+02 -0.659424D+00 -0.146091D+01  0.844129D+00
      2  -0.677473D+01 -0.417807D+01  0.603149D-02  0.185547D+01 -0.160469D-02
      3   0.178832D+01 -0.652081D+01  0.653393D+00 -0.394556D+00 -0.842524D+00
      4   0.170078D+02 -0.396718D+01 -0.135645D+01  0.168392D+01 -0.154678D+01
      5  -0.700815D+00 -0.150986D+01 -0.345956D+01  0.140283D+02 -0.574720D+01
      6  -0.875290D+00  0.771327D+00  0.828259D+01 -0.198777D+01  0.524226D+01
                36            37            38            39            40 
      1   0.562434D+01  0.102581D+02  0.166263D+02 -0.651100D+01  0.340331D+02
      2  -0.787074D+01 -0.916974D+01 -0.724105D+01  0.684374D+01 -0.179710D+02
      3   0.224640D+01 -0.108841D+01 -0.938527D+01 -0.332742D+00 -0.160621D+02
      4  -0.541847D+01  0.205592D+02  0.189162D+01  0.431968D+01 -0.515723D+01
      5  -0.394101D+01 -0.120679D+02  0.417548D+01  0.926652D+01  0.388338D+01
      6   0.114651D+01  0.237019D+01 -0.981523D+00  0.111525D+01 -0.121153D+01
                41            42            43            44            45 
      1  -0.720334D+01  0.340978D+01 -0.194324D+02  0.369938D+01 -0.641507D+00
      2   0.627393D+01  0.226239D+00  0.106815D+02 -0.157875D+01 -0.556005D+01
      3   0.929406D+00 -0.363602D+01  0.875096D+01 -0.212063D+01  0.620155D+01
      4   0.152821D+02 -0.590250D+01  0.689278D+01 -0.722954D+01  0.247783D+01
      5  -0.510695D+01  0.610451D+01  0.874578D+01  0.319183D+01 -0.749910D+01
      6   0.154858D+01  0.320235D+01 -0.497495D+00  0.300846D+01  0.106242D+01
                46            47            48            49            50 
      1   0.140558D+02 -0.112024D+00  0.170999D+01  0.218252D+01 -0.184254D+02
      2  -0.144778D+02 -0.428618D+01  0.178856D+01 -0.641616D+01  0.281122D+02
      3   0.421980D+00  0.439820D+01 -0.349855D+01  0.423364D+01 -0.968688D+01
      4  -0.968080D+01 -0.679990D+01  0.358350D+01 -0.735658D+00 -0.650157D+01
      5   0.222447D+01  0.149729D+01  0.775159D+00  0.106618D+01  0.779301D+00
      6   0.521294D+01  0.310992D+01 -0.866667D+01  0.343368D+01  0.554165D+01
                51            52            53            54            55 
      1  -0.980526D+00 -0.158067D+00 -0.777281D-01  0.117551D+01  0.103042D+02
      2   0.426230D+01  0.323951D+01  0.572020D+01  0.666863D+00 -0.120522D+01
      3  -0.328178D+01 -0.308144D+01 -0.564247D+01 -0.184237D+01 -0.909894D+01
      4   0.182783D+01  0.508003D+01  0.249015D+01 -0.899608D+01  0.176915D+02
      5  -0.243725D+01  0.909310D+00 -0.355743D+01 -0.437582D+01  0.998902D+00
      6   0.321029D+01 -0.102047D+02 -0.129563D+01 -0.136955D+02  0.598324D+00
                56            57            58            59            60 
      1   0.471699D+01 -0.447889D+00  0.846899D+01 -0.212541D+02 -0.211179D+00
      2   0.379937D+01  0.564092D+00  0.321838D+01  0.420767D+02 -0.418604D+00
      3  -0.851636D+01 -0.116202D+00 -0.116874D+02 -0.208226D+02  0.629783D+00
      4   0.225906D+02  0.682321D+00  0.265055D+02  0.474665D+02  0.716331D+00
      5   0.940693D+00  0.757011D+01  0.123876D+01  0.137971D+01  0.921557D+01
      6   0.804729D+00  0.413079D+01  0.103662D+01  0.914732D+00  0.178647D+02
                61            62            63            64            65 
      1  -0.129185D+00  0.425766D+00 -0.335043D+01  0.111544D+01 -0.251596D+00
      2   0.712395D+00 -0.966300D+00  0.271464D+01 -0.383568D+01  0.674400D-01
      3  -0.583209D+00  0.540535D+00  0.635791D+00  0.272024D+01  0.184156D+00
      4  -0.162209D+00 -0.921735D+00  0.111397D+02 -0.462337D+00  0.152168D+01
      5   0.901310D+01  0.113370D+02 -0.533830D+00 -0.159684D+01 -0.376147D+00
      6   0.396208D+01  0.139323D+02 -0.181535D+00 -0.506140D+00  0.611983D+00
                66            67            68            69            70 
      1  -0.786108D-01  0.957196D-01 -0.418067D+01 -0.383066D-01  0.971570D+00
      2   0.145513D+01  0.765843D+00  0.612106D+00 -0.805719D+00  0.264066D+01
      3  -0.137652D+01 -0.861562D+00  0.356856D+01  0.844026D+00 -0.361223D+01
      4  -0.552263D+00  0.276224D+01 -0.185696D+00 -0.462236D+00  0.102208D+01
      5   0.676753D+01  0.214928D+00 -0.766049D+00 -0.901790D+00  0.512794D+01
      6   0.346682D+00 -0.517151D-01  0.284622D+00  0.705364D+01  0.228997D+00
                71            72            73            74            75 
      1   0.158574D+01 -0.176706D+02 -0.567809D+00  0.436030D+00  0.506587D+01
      2  -0.549750D+00 -0.163251D+02 -0.274217D+01 -0.295537D+00 -0.917668D+00
      3  -0.103599D+01  0.339957D+02  0.330998D+01 -0.140494D+00 -0.414820D+01
      4  -0.537051D+00 -0.214900D+00  0.543405D+00  0.997060D+00 -0.143688D+01
      5   0.425743D+00 -0.766356D+01  0.153248D+01 -0.317553D+00  0.459879D+01
      6   0.421035D+01 -0.308945D+01 -0.123859D+01 -0.103280D+01  0.753700D+00
                76            77            78            79            80 
      1   0.141615D+01 -0.554640D+01  0.127612D+01  0.722714D+01  0.287625D+01
      2  -0.731839D+00  0.296655D+01 -0.115284D+01 -0.206979D+01 -0.158323D+00
      3  -0.684314D+00  0.257986D+01 -0.123280D+00 -0.515735D+01 -0.271793D+01
      4   0.217467D+00 -0.131615D+01  0.242929D+01 -0.293359D+01  0.235174D+01
      5  -0.174097D+00  0.214919D+01  0.613803D+00  0.390405D+01 -0.341813D+01
      6  -0.464467D-01 -0.141924D+01  0.614007D+01  0.320559D+00  0.683037D+01
                81            82            83            84            85 
      1  -0.237820D+02 -0.793670D+00 -0.361129D+01 -0.175980D+01 -0.481249D+01
      2  -0.110314D+02  0.323041D+01  0.277516D+01  0.118042D+01  0.329741D+01
      3   0.348134D+02 -0.243674D+01  0.836130D+00  0.579380D+00  0.151508D+01
      4  -0.159835D+01 -0.918000D+00  0.381063D+01  0.122044D+01  0.498068D+01
      5   0.189525D+02 -0.950211D+00  0.452566D+00  0.128421D+01 -0.164975D+00
      6  -0.136085D+02  0.147043D+01  0.208025D+00  0.294402D+00  0.389972D+00
                86            87            88            89            90 
      1  -0.195005D+02 -0.252156D+01 -0.316218D+01 -0.407968D+01 -0.623974D+01
      2   0.328342D+02  0.510591D+01  0.245122D+01  0.591671D+01  0.340512D+01
      3  -0.133336D+02 -0.258435D+01  0.710960D+00 -0.183703D+01  0.283462D+01
      4  -0.179965D+02 -0.204391D+01  0.128396D+01 -0.450926D+01 -0.274690D+01
      5  -0.256749D+01 -0.213612D+01  0.427918D+00 -0.339785D+01 -0.394388D+00
      6   0.379216D+01  0.532810D+01  0.227724D+00  0.693416D+01  0.235835D+01
                91            92            93            94            95 
      1  -0.117810D+02 -0.236801D+01 -0.464175D-01 -0.135941D+02 -0.686592D+01
      2   0.104316D+02 -0.458592D+00  0.278385D+00  0.736456D+01  0.113287D+02
      3   0.134933D+01  0.282660D+01 -0.231968D+00  0.622955D+01 -0.446277D+01
      4  -0.116190D+01  0.792343D-01 -0.427279D+00  0.833146D+01 -0.175582D+02
      5   0.741413D+00  0.456722D+00 -0.184761D+01  0.118572D+01  0.315879D+00
      6  -0.244542D+00  0.106564D-01 -0.206307D+01  0.275493D-01  0.408318D+00
                96            97            98            99           100 
      1   0.214088D+00  0.103225D+01  0.111860D+00 -0.108863D+01 -0.101924D+01
      2  -0.172452D+00 -0.678165D+00 -0.263984D+00  0.255343D+00  0.106449D+01
      3  -0.416360D-01 -0.354088D+00  0.152123D+00  0.833292D+00 -0.452508D-01
      4  -0.322991D+00 -0.381335D+00  0.123449D+00 -0.276177D+01  0.202035D+01
      5  -0.408447D+01  0.261531D+01 -0.255436D+01  0.636635D-01  0.226258D+01
      6   0.182548D+01 -0.168222D+01  0.297399D+01 -0.135700D+00  0.223310D+01
               101           102           103           104           105 
      1  -0.789323D+00 -0.798377D+00 -0.930869D-01 -0.344628D+01 -0.158234D+01
      2   0.137968D+01  0.466056D+00  0.399028D+00  0.406093D+01  0.218221D+01
      3  -0.590356D+00  0.332320D+00 -0.305941D+00 -0.614652D+00 -0.599874D+00
      4   0.433449D+01  0.259438D+01  0.394695D+01  0.246397D+01  0.251299D+01
      5   0.150839D+01  0.399768D+01  0.817799D+00  0.163163D+01  0.151118D+01
      6   0.299101D+01  0.498943D+01  0.260094D+01  0.311364D+01  0.633371D+01
               106           107           108           109           110 
      1  -0.144534D+00 -0.595328D+01 -0.961812D+01  0.652496D+00 -0.366897D+01
      2  -0.129873D+01  0.439683D+01 -0.354435D+01  0.640232D+01  0.109665D+02
      3   0.144326D+01  0.155645D+01  0.131625D+02 -0.705482D+01 -0.729751D+01
      4   0.510926D+01  0.485929D+01  0.627575D+01  0.142886D+02  0.153802D+02
      5   0.439006D+01  0.318347D+01  0.814906D+01 -0.381648D+01 -0.303772D+01
      6   0.656564D+01  0.966537D+01  0.230275D+02 -0.638864D+01 -0.606604D+01
               111           112           113           114           115 
      1   0.524525D-01 -0.210139D+01 -0.588123D+01  0.127695D+01  0.125782D+01
      2  -0.289387D+01  0.797270D+01  0.138672D+02 -0.385469D+01 -0.337574D+01
      3   0.284141D+01 -0.587131D+01 -0.798594D+01  0.257775D+01  0.211792D+01
      4  -0.553116D+01  0.138043D+02  0.122855D+02 -0.432454D+01 -0.827612D+01
      5   0.423727D+01 -0.142097D+01 -0.274315D+01  0.174108D+01  0.425782D+01
      6   0.648688D+01 -0.490114D+01 -0.593528D+01  0.538457D+01  0.676042D+01
               116           117           118           119           120 
      1   0.349867D+01 -0.258303D+01  0.500805D+02 -0.154838D+02  0.626075D+01
      2  -0.592973D+01  0.232015D+01 -0.239760D+02  0.654843D+01 -0.285435D+01
      3   0.243106D+01  0.262876D+00 -0.261045D+02  0.893539D+01 -0.340641D+01
      4  -0.705405D+01  0.621322D+01 -0.232794D+02  0.139608D+02 -0.331845D+01
      5   0.345581D+01 -0.344177D+01  0.831261D+01 -0.308162D+01  0.766855D+01
      6   0.810852D+01 -0.651233D+01 -0.948827D+00  0.493821D+00 -0.101814D+01
               121           122           123           124           125 
      1  -0.238453D+02  0.123717D+02 -0.296109D+01  0.120455D+02 -0.385756D+01
      2   0.930542D+01 -0.316859D+01  0.101454D+01 -0.660459D+01  0.165471D+01
      3   0.145399D+02 -0.920309D+01  0.194655D+01 -0.544093D+01  0.220285D+01
      4   0.209534D+02 -0.139737D+02  0.379554D+01 -0.679323D+01  0.460133D+01
      5  -0.480303D+01  0.370571D+01 -0.438629D+01  0.973164D+01 -0.362130D+01
      6   0.116345D+01 -0.973683D+00  0.210639D+01 -0.212726D+01  0.211922D+01
               126 
      1   0.586595D+01
      2  -0.394949D+01
      3  -0.191646D+01
      4  -0.386711D+01
      5   0.349628D+01
      6  -0.938166D+00

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.180292D+01      0.458257D+01      0.152858D+02
   x          0.159952D+01      0.406557D+01      0.135613D+02
   y          0.794022D+00      0.201820D+01      0.673200D+01
   z          0.248180D+00      0.630811D+00      0.210416D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.546089D+02      0.809221D+01      0.900380D+01
   aniso      0.168805D+02      0.250143D+01      0.278321D+01
   xx         0.609591D+02      0.903320D+01      0.100508D+02
   yx        -0.350373D+00     -0.519199D-01     -0.577687D-01
   yy         0.594451D+02      0.880885D+01      0.980117D+01
   zx        -0.567215D+00     -0.840526D-01     -0.935212D-01
   zy        -0.340346D+00     -0.504341D-01     -0.561155D-01
   zz         0.434226D+02      0.643457D+01      0.715942D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.613370D+02      0.908920D+01      0.101131D+02
   aniso      0.188265D+02      0.278980D+01      0.310407D+01
   xx         0.686985D+02      0.101801D+02      0.113269D+02
   yx        -0.360941D+00     -0.534859D-01     -0.595111D-01
   yy         0.664200D+02      0.984242D+01      0.109512D+02
   zx        -0.700186D+00     -0.103757D+00     -0.115445D+00
   zy        -0.276979D+00     -0.410441D-01     -0.456677D-01
   zz         0.488924D+02      0.724511D+01      0.806127D+01

 ----------------------------------------------------------------------

 Dipole orientation:
     6          0.71217691         -2.12392657          1.59489089
     6          0.54329117          0.48283566          0.40181008
     6         -0.38051695          0.30545715         -2.34581313
     8         -1.82153766          2.25705460         -3.05138698
     8          1.77925707         -1.79957707          4.04463021
     7         -0.99923302          2.30938596          1.80071326
     8          0.17860437         -1.39298134         -3.74362181
     1          2.45941180          1.25282505          0.29631811
     1         -1.18663715         -2.95402986          1.71554146
     1          1.87086727         -3.34339537          0.40147124
     1         -2.01132222          3.30594049         -1.52687232
     1         -2.53240983          1.44828648          2.56753169
     1         -0.00622390          3.05805386          3.25251610
     1          2.06064444         -3.43555585          4.78619915

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.180292D+01      0.458257D+01      0.152858D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.180292D+01      0.458257D+01      0.152858D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.546089D+02      0.809221D+01      0.900380D+01
   aniso      0.168805D+02      0.250143D+01      0.278321D+01
   xx         0.471546D+02      0.698759D+01      0.777474D+01
   yx        -0.644831D+01     -0.955541D+00     -0.106318D+01
   yy         0.567927D+02      0.841580D+01      0.936384D+01
   zx         0.300131D+01      0.444748D+00      0.494849D+00
   zy         0.580769D+00      0.860611D-01      0.957559D-01
   zz         0.598795D+02      0.887323D+01      0.987280D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.613370D+02      0.908920D+01      0.101131D+02
   aniso      0.188265D+02      0.278980D+01      0.310407D+01
   xx         0.531310D+02      0.787320D+01      0.876011D+01
   yx        -0.718078D+01     -0.106408D+01     -0.118395D+01
   yy         0.634853D+02      0.940755D+01      0.104673D+02
   zx         0.346719D+01      0.513784D+00      0.571662D+00
   zy         0.486063D+00      0.720272D-01      0.801410D-01
   zz         0.673946D+02      0.998685D+01      0.111119D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-F07-26\Freq\RB3LYP\Gen\C3H7N1O3\PIERPA\12-Aug-2021\0\\#P 
 B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoSymm
 ,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq\\ROA calculat
 ions.\\0,1\C,1.250904,-0.69005,0.276818\C,0.189479,0.206848,-0.33832\C
 ,-1.218867,-0.343463,-0.063422\O,-2.139786,0.610664,0.106878\O,2.51605
 2,-0.170687,-0.121294\N,0.262737,1.61499,0.062074\O,-1.475252,-1.51638
 7,-0.031909\H,0.312462,0.172012,-1.425027\H,1.148785,-0.681214,1.37051
 4\H,1.101193,-1.714061,-0.06989\H,-1.645638,1.460867,0.062581\H,0.5292
 34,1.69436,1.038405\H,0.970182,2.101499,-0.472846\H,3.207414,-0.767126
 ,0.181892\\Version=ES64L-G16RevA.03\State=1-A\HF=-399.1528798\RMSD=9.4
 74e-09\RMSF=8.278e-06\ZeroPoint=0.1131931\Thermal=0.1208953\Dipole=1.5
 995176,0.7940225,0.2481801\DipoleDeriv=0.789872,0.1283577,-0.1468827,0
 .0819323,0.1551594,-0.0049377,-0.1345816,0.0291655,0.3854237,-0.033425
 4,0.0207538,0.1137865,-0.0216928,0.4579407,0.0520957,0.09596,0.1346819
 ,0.1699377,1.2288996,-0.2303965,-0.1522506,-0.0389446,1.7152793,0.0401
 816,-0.2049818,0.0381923,0.2643011,-0.9214522,0.4823685,0.0558507,0.15
 34042,-1.0180835,-0.0633894,0.0962662,-0.0899395,-0.332002,-0.9853491,
 -0.1063081,0.1223961,-0.1509166,-0.3527228,-0.0518689,0.1303647,-0.071
 5309,-0.476057,-0.5524776,0.0421536,-0.0359274,0.0647078,-0.7027202,-0
 .0135804,-0.021546,-0.0518509,-0.2109439,-0.6600234,-0.2408616,0.01366
 01,-0.1055495,-1.1679277,-0.0067879,0.0364905,0.0266029,-0.3686215,0.0
 481592,-0.008844,0.0059856,-0.01386,-0.0007739,0.0116773,-0.0173749,-0
 .0132027,-0.0579929,-0.0440608,0.0029075,0.0338434,-0.0122064,0.033882
 9,-0.031904,0.0523441,0.0162844,-0.1857402,0.0033403,0.0054918,0.00626
 72,-0.0324508,-0.0998284,-0.0242363,0.0136407,-0.0576082,0.0308473,0.5
 467129,0.0821498,0.0110337,0.0897558,0.3793417,0.0075708,-0.0010563,0.
 0025607,0.2612812,0.206787,-0.0736586,-0.0720275,-0.0377361,0.1770793,
 0.0637251,-0.042658,0.005734,0.0665215,0.1090826,-0.126173,0.0593472,-
 0.0285518,0.2181958,-0.0503031,0.0256038,-0.0457116,0.1591712,0.263934
 9,0.0220592,-0.0150823,0.0521085,0.2051775,0.0717571,-0.0284715,0.0766
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 TO DETECT ERRORS, THE PROGRAMMER MUST HAVE A CONNIVING MIND,
 ONE THAT DELIGHTS IN UNCOVERING FLAWS WHERE BEAUTY AND
 PERFECTION WERE ONCE THOUGHT TO LIE.

             -- THE PSYCHOLOGY OF COMPUTER PROGRAMMING
                GERALD M. WEINBERG
 Job cpu time:       0 days  1 hours 36 minutes 36.5 seconds.
 Elapsed time:       0 days  0 hours 12 minutes 12.8 seconds.
 File lengths (MBytes):  RWF=    210 Int=      0 D2E=      0 Chk=      6 Scr=      2
 Normal termination of Gaussian 16 at Thu Aug 12 19:49:44 2021.
